trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol

C19H23N5O — CID 165027948

IUPACtrans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESNc1nc(NC[C@@H]2CCCC[C@@H]2O)c2ccc(C3=CC=NC3)cc2n1
InChIInChI=1S/C19H23N5O/c20-19-23-16-9-12(13-7-8-21-10-13)5-6-15(16)18(24-19)22-11-14-3-1-2-4-17(14)25/h5-9,14,17,25H,1-4,10-11H2,(H3,20,22,23,24)/t14-,17-/m0/s1
InChIKeyMENJCZQJQYMAII-YOEHRIQHSA-N
MW337.43 g/mol
LogP2.64
Rot. Bonds4

About trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol

trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 165027948) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID165027948
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Nametrans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESNc1nc(NC[C@@H]2CCCC[C@@H]2O)c2ccc(C3=CC=NC3)cc2n1
InChIInChI=1S/C19H23N5O/c20-19-23-16-9-12(13-7-8-21-10-13)5-6-15(16)18(24-19)22-11-14-3-1-2-4-17(14)25/h5-9,14,17,25H,1-4,10-11H2,(H3,20,22,23,24)/t14-,17-/m0/s1
InChIKeyMENJCZQJQYMAII-YOEHRIQHSA-N
XLogP2.64
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol
CID 164982706
(2R,3R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]butane-1,3-diol
CID 165021169
2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol
CID 163837920
4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 148506480
2-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103328656
2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
CID 102984509
4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175696684
[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol
CID 154649311
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 154649378
[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103328665
1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol
CID 158486828
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 102758635

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol (CID 165027948) is trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol is Nc1nc(NC[C@@H]2CCCC[C@@H]2O)c2ccc(C3=CC=NC3)cc2n1.
What is the InChIKey of trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is MENJCZQJQYMAII-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H23N5O/c20-19-23-16-9-12(13-7-8-21-10-13)5-6-15(16)18(24-19)22-11-14-3-1-2-4-17(14)25/h5-9,14,17,25H,1-4,10-11H2,(H3,20,22,23,24)/t14-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol?
trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 337.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 165027948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).