N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C13H15N5O2S — CID 170324596

IUPACN-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCS(=O)(=O)c1cc(Nc2ncc3c(n2)CNCC3)ccn1
InChIInChI=1S/C13H15N5O2S/c1-21(19,20)12-6-10(3-5-15-12)17-13-16-7-9-2-4-14-8-11(9)18-13/h3,5-7,14H,2,4,8H2,1H3,(H,15,16,17,18)
InChIKeyLUIYNLRJPKLFCJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.66
Rot. Bonds3

About N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324596) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324596
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCS(=O)(=O)c1cc(Nc2ncc3c(n2)CNCC3)ccn1
InChIInChI=1S/C13H15N5O2S/c1-21(19,20)12-6-10(3-5-15-12)17-13-16-7-9-2-4-14-8-11(9)18-13/h3,5-7,14H,2,4,8H2,1H3,(H,15,16,17,18)
InChIKeyLUIYNLRJPKLFCJ-UHFFFAOYSA-N
XLogP0.66
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324271
methyl 2-[2-fluoro-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]acetate
CID 177364032
N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324513
N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324799
N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100690
N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100689
N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557319
N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324420
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324062
6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
CID 70864138
4-[[2-(1-cyanocyclopropyl)-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155709224
N-methyl-N-[3-[[[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]methanesulfonamide;hydrochloride
CID 168876665

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 170324596) is N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is CS(=O)(=O)c1cc(Nc2ncc3c(n2)CNCC3)ccn1.
What is the InChIKey of N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is LUIYNLRJPKLFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-21(19,20)12-6-10(3-5-15-12)17-13-16-7-9-2-4-14-8-11(9)18-13/h3,5-7,14H,2,4,8H2,1H3,(H,15,16,17,18).
What are the key properties of N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 305.36 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).