N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C17H21N5O2 — CID 56754121

IUPACN-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCO[C@H]1COC[C@@H]1Nc1nc(-c2ccncc2)nc2c1CCNC2
InChIInChI=1S/C17H21N5O2/c1-23-15-10-24-9-14(15)21-17-12-4-7-19-8-13(12)20-16(22-17)11-2-5-18-6-3-11/h2-3,5-6,14-15,19H,4,7-10H2,1H3,(H,20,21,22)/t14-,15-/m0/s1
InChIKeyKGLZEHLTBYYQNN-GJZGRUSLSA-N
MW327.39 g/mol
LogP1.01
Rot. Bonds4

About N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56754121) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56754121
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCO[C@H]1COC[C@@H]1Nc1nc(-c2ccncc2)nc2c1CCNC2
InChIInChI=1S/C17H21N5O2/c1-23-15-10-24-9-14(15)21-17-12-4-7-19-8-13(12)20-16(22-17)11-2-5-18-6-3-11/h2-3,5-6,14-15,19H,4,7-10H2,1H3,(H,20,21,22)/t14-,15-/m0/s1
InChIKeyKGLZEHLTBYYQNN-GJZGRUSLSA-N
XLogP1.01
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-piperidin-4-yl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56749584
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56740936
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95193387
N-cyclopent-3-en-1-yl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56897358
2-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 56870975
[4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
CID 56755322
N-[(3S,4R)-4-methoxyoxolan-3-yl]isoquinolin-1-amine
CID 134707695
1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 56756881
2-pyridin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56741082
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 50959211
1-methyl-3-[(2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]pyrrolidin-2-one
CID 56896727
N-[(2S)-1-methoxypropan-2-yl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95727447

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56754121) is N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CO[C@H]1COC[C@@H]1Nc1nc(-c2ccncc2)nc2c1CCNC2.
What is the InChIKey of N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is KGLZEHLTBYYQNN-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-23-15-10-24-9-14(15)21-17-12-4-7-19-8-13(12)20-16(22-17)11-2-5-18-6-3-11/h2-3,5-6,14-15,19H,4,7-10H2,1H3,(H,20,21,22)/t14-,15-/m0/s1.
What are the key properties of N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56754121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).