2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine

C25H32N6O — CID 95834977

IUPAC2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine
SMILESCOCCc1ncc(CN2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cn1
InChIInChI=1S/C25H32N6O/c1-18-6-4-9-26-25(18)30-22-12-19(2)29-23(13-22)21-7-5-10-31(17-21)16-20-14-27-24(28-15-20)8-11-32-3/h4,6,9,12-15,21H,5,7-8,10-11,16-17H2,1-3H3,(H,26,29,30)/t21-/m0/s1
InChIKeyVTHOUXAQCHNVKO-NRFANRHFSA-N
MW432.57 g/mol
LogP4.20
Rot. Bonds8

About 2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine

2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine (PubChem CID 95834977) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine.

Molecular Properties

Compound Name2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine
PubChem CID95834977
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine
SMILESCOCCc1ncc(CN2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cn1
InChIInChI=1S/C25H32N6O/c1-18-6-4-9-26-25(18)30-22-12-19(2)29-23(13-22)21-7-5-10-31(17-21)16-20-14-27-24(28-15-20)8-11-32-3/h4,6,9,12-15,21H,5,7-8,10-11,16-17H2,1-3H3,(H,26,29,30)/t21-/m0/s1
InChIKeyVTHOUXAQCHNVKO-NRFANRHFSA-N
XLogP4.20
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093602
2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92611352
cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264956
N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 95832813
N-[2-[(2S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 95832812
N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 95813665
(E)-1-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 132766444
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95834893
3-(furan-2-yl)-1-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]prop-2-en-1-one
CID 171147493
5-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-6-methyl-4-pyridinyl]pyridin-2-amine
CID 92617305
[2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol
CID 95834986
N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 95813646

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine?
The IUPAC name of 2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine (CID 95834977) is 2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine.
What is the SMILES notation for 2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine?
The canonical SMILES for 2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine is COCCc1ncc(CN2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cn1.
What is the InChIKey of 2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine?
The InChIKey is VTHOUXAQCHNVKO-NRFANRHFSA-N. The full InChI is InChI=1S/C25H32N6O/c1-18-6-4-9-26-25(18)30-22-12-19(2)29-23(13-22)21-7-5-10-31(17-21)16-20-14-27-24(28-15-20)8-11-32-3/h4,6,9,12-15,21H,5,7-8,10-11,16-17H2,1-3H3,(H,26,29,30)/t21-/m0/s1.
What are the key properties of 2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine?
2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine has a molecular weight of 432.57 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine is sourced from PubChem (CID 95834977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).