4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine

C7H5Cl2N5 — CID 63022065

IUPAC4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1-n1cc(Cl)cn1
InChIInChI=1S/C7H5Cl2N5/c8-4-1-13-14(2-4)7-5(10)6(9)11-3-12-7/h1-3H,10H2
InChIKeyZZXUQXKITCDQRW-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.55
Rot. Bonds1

About 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine

4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine (PubChem CID 63022065) has the molecular formula C7H5Cl2N5 and a molecular weight of 230.06 g/mol. Its IUPAC name is 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine
PubChem CID63022065
Molecular FormulaC7H5Cl2N5
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1-n1cc(Cl)cn1
InChIInChI=1S/C7H5Cl2N5/c8-4-1-13-14(2-4)7-5(10)6(9)11-3-12-7/h1-3H,10H2
InChIKeyZZXUQXKITCDQRW-UHFFFAOYSA-N
XLogP1.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine (CID 63022065) is 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine is Nc1c(Cl)ncnc1-n1cc(Cl)cn1.
What is the InChIKey of 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine?
The InChIKey is ZZXUQXKITCDQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N5/c8-4-1-13-14(2-4)7-5(10)6(9)11-3-12-7/h1-3H,10H2.
What are the key properties of 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine?
4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine has a molecular weight of 230.06 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloropyrazol-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 63022065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).