cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol

C18H21N5O — CID 164982706

IUPACcis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol
SMILESC[C@@]1(O)CC[C@@H](Nc2nc(N)nc3cc(C4=CC=NC4)ccc23)C1
InChIInChI=1S/C18H21N5O/c1-18(24)6-4-13(9-18)21-16-14-3-2-11(12-5-7-20-10-12)8-15(14)22-17(19)23-16/h2-3,5,7-8,13,24H,4,6,9-10H2,1H3,(H3,19,21,22,23)/t13-,18-/m1/s1
InChIKeyFSHYRKXMALVLHD-FZKQIMNGSA-N
MW323.40 g/mol
LogP2.40
Rot. Bonds3

About cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol

cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol (PubChem CID 164982706) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol
PubChem CID164982706
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Namecis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol
SMILESC[C@@]1(O)CC[C@@H](Nc2nc(N)nc3cc(C4=CC=NC4)ccc23)C1
InChIInChI=1S/C18H21N5O/c1-18(24)6-4-13(9-18)21-16-14-3-2-11(12-5-7-20-10-12)8-15(14)22-17(19)23-16/h2-3,5,7-8,13,24H,4,6,9-10H2,1H3,(H3,19,21,22,23)/t13-,18-/m1/s1
InChIKeyFSHYRKXMALVLHD-FZKQIMNGSA-N
XLogP2.40
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-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

trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
CID 165027948
(2R,3R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]butane-1,3-diol
CID 165021169
4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 148506480
4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330666
2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol
CID 163837920
1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol
CID 158486828
[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol
CID 154649288
4-[(2-amino-5-bromo-6-methylpyrimidin-4-yl)amino]-1-methylcyclohexan-1-ol
CID 91153943
4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649381
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 154649378
3-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]-1-methylcyclohexan-1-ol
CID 169230251
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 158180198

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol?
The IUPAC name of cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol (CID 164982706) is cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol is C[C@@]1(O)CC[C@@H](Nc2nc(N)nc3cc(C4=CC=NC4)ccc23)C1.
What is the InChIKey of cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol?
The InChIKey is FSHYRKXMALVLHD-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H21N5O/c1-18(24)6-4-13(9-18)21-16-14-3-2-11(12-5-7-20-10-12)8-15(14)22-17(19)23-16/h2-3,5,7-8,13,24H,4,6,9-10H2,1H3,(H3,19,21,22,23)/t13-,18-/m1/s1.
What are the key properties of cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol?
cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol has a molecular weight of 323.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol is sourced from PubChem (CID 164982706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).