5-bromo-2-chloro-N-propylpyrimidin-4-amine

C7H9BrClN3 — CID 53485997

IUPAC5-bromo-2-chloro-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cl)ncc1Br
InChIInChI=1S/C7H9BrClN3/c1-2-3-10-6-5(8)4-11-7(9)12-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyFUFXSKHPUJKULN-UHFFFAOYSA-N
MW250.53 g/mol
LogP2.71
Rot. Bonds3

About 5-bromo-2-chloro-N-propylpyrimidin-4-amine

5-bromo-2-chloro-N-propylpyrimidin-4-amine (PubChem CID 53485997) has the molecular formula C7H9BrClN3 and a molecular weight of 250.53 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-propylpyrimidin-4-amine
PubChem CID53485997
Molecular FormulaC7H9BrClN3
Molecular Weight250.53 g/mol
Exact Mass248.97
IUPAC Name5-bromo-2-chloro-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cl)ncc1Br
InChIInChI=1S/C7H9BrClN3/c1-2-3-10-6-5(8)4-11-7(9)12-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyFUFXSKHPUJKULN-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79073683
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
CID 79073499
5-bromo-2-chloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79073107
3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 79072822
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide
CID 79075455
5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine
CID 66297613
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 79076702
5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
CID 79073377
5-bromo-2-chloro-N-(2-prop-2-enylsulfanylethyl)pyrimidin-4-amine
CID 106431867
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 106192847

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-propylpyrimidin-4-amine (CID 53485997) is 5-bromo-2-chloro-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-propylpyrimidin-4-amine is CCCNc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-propylpyrimidin-4-amine?
The InChIKey is FUFXSKHPUJKULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClN3/c1-2-3-10-6-5(8)4-11-7(9)12-6/h4H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 5-bromo-2-chloro-N-propylpyrimidin-4-amine?
5-bromo-2-chloro-N-propylpyrimidin-4-amine has a molecular weight of 250.53 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 53485997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).