5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C14H22BrN5 — CID 66301524

IUPAC5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(N2CCN(C)CC2)nc(C2CC2)c1Br
InChIInChI=1S/C14H22BrN5/c1-3-16-13-11(15)12(10-4-5-10)17-14(18-13)20-8-6-19(2)7-9-20/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyZMDQHKBNAPUAAT-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.30
Rot. Bonds4

About 5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 66301524) has the molecular formula C14H22BrN5 and a molecular weight of 340.27 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID66301524
Molecular FormulaC14H22BrN5
Molecular Weight340.27 g/mol
Exact Mass339.11
IUPAC Name5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(N2CCN(C)CC2)nc(C2CC2)c1Br
InChIInChI=1S/C14H22BrN5/c1-3-16-13-11(15)12(10-4-5-10)17-14(18-13)20-8-6-19(2)7-9-20/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyZMDQHKBNAPUAAT-UHFFFAOYSA-N
XLogP2.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 66301524) is 5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CCNc1nc(N2CCN(C)CC2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ZMDQHKBNAPUAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5/c1-3-16-13-11(15)12(10-4-5-10)17-14(18-13)20-8-6-19(2)7-9-20/h10H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 340.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 66301524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).