N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine

C17H23N5O2S — CID 110270079

IUPACN-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cccnc1Nc1cc(CC2CCCN(S(C)(=O)=O)C2)ncn1
InChIInChI=1S/C17H23N5O2S/c1-13-5-3-7-18-17(13)21-16-10-15(19-12-20-16)9-14-6-4-8-22(11-14)25(2,23)24/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3,(H,18,19,20,21)
InChIKeyBEIFYPOGUIRLOS-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.14
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine

N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 110270079) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID110270079
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cccnc1Nc1cc(CC2CCCN(S(C)(=O)=O)C2)ncn1
InChIInChI=1S/C17H23N5O2S/c1-13-5-3-7-18-17(13)21-16-10-15(19-12-20-16)9-14-6-4-8-22(11-14)25(2,23)24/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3,(H,18,19,20,21)
InChIKeyBEIFYPOGUIRLOS-UHFFFAOYSA-N
XLogP2.14
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 132764396
6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 124940637
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
(E)-3-(1-methylpyrazol-4-yl)-1-[3-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 132766486
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
CID 110256844
N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 95837598
6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine
CID 124974272
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124964395
3-(1-methylpyrazol-4-yl)-1-[4-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 171147335
4,5-dimethyl-2-[6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 132765382
(4R)-4-[(6-chloropyrimidin-4-yl)methyl]-1-methylsulfonylazepane
CID 95804540

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine (CID 110270079) is N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine is Cc1cccnc1Nc1cc(CC2CCCN(S(C)(=O)=O)C2)ncn1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is BEIFYPOGUIRLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-13-5-3-7-18-17(13)21-16-10-15(19-12-20-16)9-14-6-4-8-22(11-14)25(2,23)24/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine?
N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 110270079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).