5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C8H8ClN5 — CID 105369180

IUPAC5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(Nc2ncncc2Cl)cn1
InChIInChI=1S/C8H8ClN5/c1-14-4-6(2-12-14)13-8-7(9)3-10-5-11-8/h2-5H,1H3,(H,10,11,13)
InChIKeyDRSMPACYYFXVOA-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.61
Rot. Bonds2

About 5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine

5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 105369180) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID105369180
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(Nc2ncncc2Cl)cn1
InChIInChI=1S/C8H8ClN5/c1-14-4-6(2-12-14)13-8-7(9)3-10-5-11-8/h2-5H,1H3,(H,10,11,13)
InChIKeyDRSMPACYYFXVOA-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 105369180) is 5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cn1cc(Nc2ncncc2Cl)cn1.
What is the InChIKey of 5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is DRSMPACYYFXVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-14-4-6(2-12-14)13-8-7(9)3-10-5-11-8/h2-5H,1H3,(H,10,11,13).
What are the key properties of 5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 209.64 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 105369180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).