2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C20H25N5O2 — CID 118030043

IUPAC2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESC[C@@H](CO)Nc1ncc2c(n1)CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)CC2
InChIInChI=1S/C20H25N5O2/c1-13(12-26)22-19-21-10-15-7-8-25(11-18(15)23-19)20(27)24-17-9-16(17)14-5-3-2-4-6-14/h2-6,10,13,16-17,26H,7-9,11-12H2,1H3,(H,24,27)(H,21,22,23)/t13-,16-,17+/m0/s1
InChIKeyVVDSVZNHMCJOHE-RRQGHBQHSA-N
MW367.45 g/mol
LogP1.89
Rot. Bonds5

About 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 118030043) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID118030043
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESC[C@@H](CO)Nc1ncc2c(n1)CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)CC2
InChIInChI=1S/C20H25N5O2/c1-13(12-26)22-19-21-10-15-7-8-25(11-18(15)23-19)20(27)24-17-9-16(17)14-5-3-2-4-6-14/h2-6,10,13,16-17,26H,7-9,11-12H2,1H3,(H,24,27)(H,21,22,23)/t13-,16-,17+/m0/s1
InChIKeyVVDSVZNHMCJOHE-RRQGHBQHSA-N
XLogP1.89
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 118030043) is 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is C[C@@H](CO)Nc1ncc2c(n1)CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)CC2.
What is the InChIKey of 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is VVDSVZNHMCJOHE-RRQGHBQHSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(12-26)22-19-21-10-15-7-8-25(11-18(15)23-19)20(27)24-17-9-16(17)14-5-3-2-4-6-14/h2-6,10,13,16-17,26H,7-9,11-12H2,1H3,(H,24,27)(H,21,22,23)/t13-,16-,17+/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 118030043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).