2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

C15H19BrClN3S — CID 102844107

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC(C)C)nc(-c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C15H19BrClN3S/c1-4-5-18-13-7-10(6-9(2)3)19-15(20-13)12-8-11(16)14(17)21-12/h7-9H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyKXIDDGCXQRMHBV-UHFFFAOYSA-N
MW388.76 g/mol
LogP5.64
Rot. Bonds6

About 2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 102844107) has the molecular formula C15H19BrClN3S and a molecular weight of 388.76 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
PubChem CID102844107
Molecular FormulaC15H19BrClN3S
Molecular Weight388.76 g/mol
Exact Mass387.02
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC(C)C)nc(-c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C15H19BrClN3S/c1-4-5-18-13-7-10(6-9(2)3)19-15(20-13)12-8-11(16)14(17)21-12/h7-9H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyKXIDDGCXQRMHBV-UHFFFAOYSA-N
XLogP5.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.76
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 102842725
2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 107125389
2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381242
2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106889292
2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66158760
2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine
CID 102844092
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 102844027
2-(2-ethoxyethyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106815334
2-(3-bromo-4-fluorophenyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 82787744
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 102843967
2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 102843763
2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79427543

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (CID 102844107) is 2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is CCCNc1cc(CC(C)C)nc(-c2cc(Br)c(Cl)s2)n1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is KXIDDGCXQRMHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3S/c1-4-5-18-13-7-10(6-9(2)3)19-15(20-13)12-8-11(16)14(17)21-12/h7-9H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 388.76 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102844107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).