(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol

C18H29N3O3 — CID 95758616

IUPAC(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol
SMILESCC(C)c1ncc2c(n1)CN(C[C@@H](O)COC[C@@H]1CCCO1)CC2
InChIInChI=1S/C18H29N3O3/c1-13(2)18-19-8-14-5-6-21(10-17(14)20-18)9-15(22)11-23-12-16-4-3-7-24-16/h8,13,15-16,22H,3-7,9-12H2,1-2H3/t15-,16+/m1/s1
InChIKeyFKERWZSCBHNHNQ-CVEARBPZSA-N
MW335.45 g/mol
LogP1.51
Rot. Bonds7

About (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol

(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol (PubChem CID 95758616) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol
PubChem CID95758616
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol
SMILESCC(C)c1ncc2c(n1)CN(C[C@@H](O)COC[C@@H]1CCCO1)CC2
InChIInChI=1S/C18H29N3O3/c1-13(2)18-19-8-14-5-6-21(10-17(14)20-18)9-15(22)11-23-12-16-4-3-7-24-16/h8,13,15-16,22H,3-7,9-12H2,1-2H3/t15-,16+/m1/s1
InChIKeyFKERWZSCBHNHNQ-CVEARBPZSA-N
XLogP1.51
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 95299802
(2S)-1-[4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 124823947
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
(2S)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425582
4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
CID 78836914
1-(3-ethylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110888545
1-[(3R,5S)-3,5-dimethylazepan-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 146138021
1-(oxolan-2-ylmethoxy)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 47035028
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425639
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
1-(oxolan-2-ylmethoxy)-3-(2-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 111424785
2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 95612716

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol?
The IUPAC name of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol (CID 95758616) is (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol is CC(C)c1ncc2c(n1)CN(C[C@@H](O)COC[C@@H]1CCCO1)CC2.
What is the InChIKey of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol?
The InChIKey is FKERWZSCBHNHNQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)18-19-8-14-5-6-21(10-17(14)20-18)9-15(22)11-23-12-16-4-3-7-24-16/h8,13,15-16,22H,3-7,9-12H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol?
(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol has a molecular weight of 335.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol is sourced from PubChem (CID 95758616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).