2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine

C10H13Cl2N3 — CID 130751690

IUPAC2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1nc(Cl)ncc1Cl)C1CC1
InChIInChI=1S/C10H13Cl2N3/c1-2-8(6-3-4-6)14-9-7(11)5-13-10(12)15-9/h5-6,8H,2-4H2,1H3,(H,13,14,15)
InChIKeyYLRXBCYZWGWXBF-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.38
Rot. Bonds4

About 2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine

2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine (PubChem CID 130751690) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine
PubChem CID130751690
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1nc(Cl)ncc1Cl)C1CC1
InChIInChI=1S/C10H13Cl2N3/c1-2-8(6-3-4-6)14-9-7(11)5-13-10(12)15-9/h5-6,8H,2-4H2,1H3,(H,13,14,15)
InChIKeyYLRXBCYZWGWXBF-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine (CID 130751690) is 2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine is CCC(Nc1nc(Cl)ncc1Cl)C1CC1.
What is the InChIKey of 2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine?
The InChIKey is YLRXBCYZWGWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c1-2-8(6-3-4-6)14-9-7(11)5-13-10(12)15-9/h5-6,8H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine?
2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine has a molecular weight of 246.14 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 130751690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).