formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C17H20N6O3 — CID 175739698

IUPACformic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC[C@@H]2CCCO2)c2ccc(-c3ccn[nH]3)cc2n1.O=CO
InChIInChI=1S/C16H18N6O.CH2O2/c17-16-20-14-8-10(13-5-6-19-22-13)3-4-12(14)15(21-16)18-9-11-2-1-7-23-11;2-1-3/h3-6,8,11H,1-2,7,9H2,(H,19,22)(H3,17,18,20,21);1H,(H,2,3)/t11-;/m0./s1
InChIKeyXTZYVDMBYYFTNY-MERQFXBCSA-N
MW356.39 g/mol
LogP1.89
Rot. Bonds4

About formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 175739698) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Nameformic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID175739698
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Nameformic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC[C@@H]2CCCO2)c2ccc(-c3ccn[nH]3)cc2n1.O=CO
InChIInChI=1S/C16H18N6O.CH2O2/c17-16-20-14-8-10(13-5-6-19-22-13)3-4-12(14)15(21-16)18-9-11-2-1-7-23-11;2-1-3/h3-6,8,11H,1-2,7,9H2,(H,19,22)(H3,17,18,20,21);1H,(H,2,3)/t11-;/m0./s1
InChIKeyXTZYVDMBYYFTNY-MERQFXBCSA-N
XLogP1.89
TPSA139.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine 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

4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175696684
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 154649378
7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
CID 154649391
4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649525
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649329
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine
CID 170726752
N-[2-[4-amino-7-(1H-pyrazol-5-yl)-[1,3]thiazolo[4,5-c]quinolin-2-yl]ethyl]-2-(oxetan-2-yl)acetamide
CID 157023032
4-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]-1-(oxolan-2-yl)butan-1-one
CID 161226314
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848

Frequently Asked Questions

What is the IUPAC name of formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 175739698) is formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Nc1nc(NC[C@@H]2CCCO2)c2ccc(-c3ccn[nH]3)cc2n1.O=CO.
What is the InChIKey of formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is XTZYVDMBYYFTNY-MERQFXBCSA-N. The full InChI is InChI=1S/C16H18N6O.CH2O2/c17-16-20-14-8-10(13-5-6-19-22-13)3-4-12(14)15(21-16)18-9-11-2-1-7-23-11;2-1-3/h3-6,8,11H,1-2,7,9H2,(H,19,22)(H3,17,18,20,21);1H,(H,2,3)/t11-;/m0./s1.
What are the key properties of formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 356.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 175739698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).