2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine

C17H20N6 — CID 100692267

IUPAC2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
SMILESCc1nccn1C[C@H]1CCCN1c1nc(N)c2ccccc2n1
InChIInChI=1S/C17H20N6/c1-12-19-8-10-22(12)11-13-5-4-9-23(13)17-20-15-7-3-2-6-14(15)16(18)21-17/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H2,18,20,21)/t13-/m1/s1
InChIKeyFKOCOOYEVZVRLS-CYBMUJFWSA-N
MW308.39 g/mol
LogP2.39
Rot. Bonds3

About 2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine

2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine (PubChem CID 100692267) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
PubChem CID100692267
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
SMILESCc1nccn1C[C@H]1CCCN1c1nc(N)c2ccccc2n1
InChIInChI=1S/C17H20N6/c1-12-19-8-10-22(12)11-13-5-4-9-23(13)17-20-15-7-3-2-6-14(15)16(18)21-17/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H2,18,20,21)/t13-/m1/s1
InChIKeyFKOCOOYEVZVRLS-CYBMUJFWSA-N
XLogP2.39
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoline
CID 99837183
2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
CID 100692414
5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133403923
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644
N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide
CID 133428943
4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline
CID 95630596
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 119954161
3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 124616194
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954160
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 119897763
4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75438009
N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 100691756

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine?
The IUPAC name of 2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine (CID 100692267) is 2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine.
What is the SMILES notation for 2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine?
The canonical SMILES for 2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine is Cc1nccn1C[C@H]1CCCN1c1nc(N)c2ccccc2n1.
What is the InChIKey of 2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine?
The InChIKey is FKOCOOYEVZVRLS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6/c1-12-19-8-10-22(12)11-13-5-4-9-23(13)17-20-15-7-3-2-6-14(15)16(18)21-17/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H2,18,20,21)/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine?
2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 100692267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).