2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine

C16H21N5O2 — CID 129333487

IUPAC2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESCOc1cc(CNc2nccc(N[C@@H]3CCCOC3)n2)ccn1
InChIInChI=1S/C16H21N5O2/c1-22-15-9-12(4-6-17-15)10-19-16-18-7-5-14(21-16)20-13-3-2-8-23-11-13/h4-7,9,13H,2-3,8,10-11H2,1H3,(H2,18,19,20,21)/t13-/m1/s1
InChIKeyFTQANGVRDXMCRR-CYBMUJFWSA-N
MW315.38 g/mol
LogP2.08
Rot. Bonds6

About 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine

2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine (PubChem CID 129333487) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
PubChem CID129333487
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESCOc1cc(CNc2nccc(N[C@@H]3CCCOC3)n2)ccn1
InChIInChI=1S/C16H21N5O2/c1-22-15-9-12(4-6-17-15)10-19-16-18-7-5-14(21-16)20-13-3-2-8-23-11-13/h4-7,9,13H,2-3,8,10-11H2,1H3,(H2,18,19,20,21)/t13-/m1/s1
InChIKeyFTQANGVRDXMCRR-CYBMUJFWSA-N
XLogP2.08
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 128993039
4-N-[(3R)-oxan-3-yl]-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 129338410
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341639
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]acetic acid
CID 122047247
[2-[[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
CID 128996848
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129343882
4-methoxy-N-(oxan-3-yl)pyridin-2-amine
CID 115922910
(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol
CID 129332796
6-methoxy-2-N-(oxan-3-yl)pyridine-2,5-diamine
CID 63359888
2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341030
2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 129001291

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine (CID 129333487) is 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine is COc1cc(CNc2nccc(N[C@@H]3CCCOC3)n2)ccn1.
What is the InChIKey of 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is FTQANGVRDXMCRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-22-15-9-12(4-6-17-15)10-19-16-18-7-5-14(21-16)20-13-3-2-8-23-11-13/h4-7,9,13H,2-3,8,10-11H2,1H3,(H2,18,19,20,21)/t13-/m1/s1.
What are the key properties of 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 315.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 129333487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).