5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine

C10H8BrClN4 — CID 122156984

IUPAC5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine
SMILESClc1ccc(CNc2ncc(Br)cn2)nc1
InChIInChI=1S/C10H8BrClN4/c11-7-3-14-10(15-4-7)16-6-9-2-1-8(12)5-13-9/h1-5H,6H2,(H,14,15,16)
InChIKeyRPLFGKRFGDZZPN-UHFFFAOYSA-N
MW299.56 g/mol
LogP2.90
Rot. Bonds3

About 5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine

5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 122156984) has the molecular formula C10H8BrClN4 and a molecular weight of 299.56 g/mol. Its IUPAC name is 5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID122156984
Molecular FormulaC10H8BrClN4
Molecular Weight299.56 g/mol
Exact Mass297.96
IUPAC Name5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine
SMILESClc1ccc(CNc2ncc(Br)cn2)nc1
InChIInChI=1S/C10H8BrClN4/c11-7-3-14-10(15-4-7)16-6-9-2-1-8(12)5-13-9/h1-5H,6H2,(H,14,15,16)
InChIKeyRPLFGKRFGDZZPN-UHFFFAOYSA-N
XLogP2.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-4-chloro-2-iodoaniline
CID 107632508
N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline
CID 65467806
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 58946113
1-(5-chloro-2-pyridinyl)-N-methylmethanamine;hydrochloride
CID 162422867
5-bromo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
CID 79492912
N-[(5-bromo-2-pyridinyl)methyl]-3,5-dichloro-4-fluoroaniline
CID 107572987
2-[(5-chloro-2-pyridinyl)methylamino]ethanol
CID 19767951
5-bromo-N-[2-[(4-chlorophenyl)methoxy]ethyl]pyrimidin-2-amine
CID 133390150
N-[(5-bromo-2-pyridinyl)methyl]-3-fluoro-2-iodoaniline
CID 114258358
N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
CID 113344581
N-[(4-bromophenyl)methyl]-5-chloropyridin-2-amine
CID 60705114
5-bromo-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 63873584

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine (CID 122156984) is 5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine is Clc1ccc(CNc2ncc(Br)cn2)nc1.
What is the InChIKey of 5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is RPLFGKRFGDZZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4/c11-7-3-14-10(15-4-7)16-6-9-2-1-8(12)5-13-9/h1-5H,6H2,(H,14,15,16).
What are the key properties of 5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine?
5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 299.56 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-chloro-2-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 122156984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).