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

C21H23N5O — CID 95214429

IUPAC2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](CNc1nc(-c2ccccc2)nc2c1CCNC2)Oc1cccnc1
InChIInChI=1S/C21H23N5O/c1-15(27-17-8-5-10-22-13-17)12-24-21-18-9-11-23-14-19(18)25-20(26-21)16-6-3-2-4-7-16/h2-8,10,13,15,23H,9,11-12,14H2,1H3,(H,24,25,26)/t15-/m0/s1
InChIKeyHFEMLRNMPNXNTI-HNNXBMFYSA-N
MW361.45 g/mol
LogP3.06
Rot. Bonds6

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

2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 95214429) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID95214429
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](CNc1nc(-c2ccccc2)nc2c1CCNC2)Oc1cccnc1
InChIInChI=1S/C21H23N5O/c1-15(27-17-8-5-10-22-13-17)12-24-21-18-9-11-23-14-19(18)25-20(26-21)16-6-3-2-4-7-16/h2-8,10,13,15,23H,9,11-12,14H2,1H3,(H,24,25,26)/t15-/m0/s1
InChIKeyHFEMLRNMPNXNTI-HNNXBMFYSA-N
XLogP3.06
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-N-[(2R)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95214430
N-(2-pyridin-3-yloxypropyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 50975075
N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 56754375
N-[(2S)-1-methoxypropan-2-yl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95727447
N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95221672
2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol
CID 166225615
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56747345
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56880327
2-pyridin-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56739355
4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389
2-pyridin-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 70753057

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 95214429) is 2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is C[C@@H](CNc1nc(-c2ccccc2)nc2c1CCNC2)Oc1cccnc1.
What is the InChIKey of 2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is HFEMLRNMPNXNTI-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15(27-17-8-5-10-22-13-17)12-24-21-18-9-11-23-14-19(18)25-20(26-21)16-6-3-2-4-7-16/h2-8,10,13,15,23H,9,11-12,14H2,1H3,(H,24,25,26)/t15-/m0/s1.
What are the key properties of 2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95214429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).