6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine

C9H13BrN4 — CID 116795502

IUPAC6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)cc(Br)n1)C1CC1
InChIInChI=1S/C9H13BrN4/c1-5(6-2-3-6)12-9-13-7(10)4-8(11)14-9/h4-6H,2-3H2,1H3,(H3,11,12,13,14)
InChIKeyKYIIHZOIHVNSFW-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.03
Rot. Bonds3

About 6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine

6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine (PubChem CID 116795502) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is 6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine
PubChem CID116795502
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC Name6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)cc(Br)n1)C1CC1
InChIInChI=1S/C9H13BrN4/c1-5(6-2-3-6)12-9-13-7(10)4-8(11)14-9/h4-6H,2-3H2,1H3,(H3,11,12,13,14)
InChIKeyKYIIHZOIHVNSFW-UHFFFAOYSA-N
XLogP2.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine (CID 116795502) is 6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine is CC(Nc1nc(N)cc(Br)n1)C1CC1.
What is the InChIKey of 6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine?
The InChIKey is KYIIHZOIHVNSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4/c1-5(6-2-3-6)12-9-13-7(10)4-8(11)14-9/h4-6H,2-3H2,1H3,(H3,11,12,13,14).
What are the key properties of 6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine has a molecular weight of 257.13 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116795502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).