2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine

C14H17ClN4 — CID 106028358

IUPAC2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
SMILESCN1CCCC1CNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H17ClN4/c1-19-8-4-5-10(19)9-16-13-11-6-2-3-7-12(11)17-14(15)18-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17,18)
InChIKeyBYFOHMWZHGNDAR-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.79
Rot. Bonds3

About 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine

2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine (PubChem CID 106028358) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
PubChem CID106028358
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
SMILESCN1CCCC1CNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H17ClN4/c1-19-8-4-5-10(19)9-16-13-11-6-2-3-7-12(11)17-14(15)18-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17,18)
InChIKeyBYFOHMWZHGNDAR-UHFFFAOYSA-N
XLogP2.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinolin-2-amine
CID 106027080
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 106028253
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine
CID 63687023
6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106029018
2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
CID 62477526
2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine
CID 63833541
5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106028495
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
3,5-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026698

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine (CID 106028358) is 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine is CN1CCCC1CNc1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine?
The InChIKey is BYFOHMWZHGNDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-19-8-4-5-10(19)9-16-13-11-6-2-3-7-12(11)17-14(15)18-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine?
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 106028358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).