2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine

C9H10ClN5 — CID 106194417

IUPAC2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCc1ccn[nH]1
InChIInChI=1S/C9H10ClN5/c1-6-4-12-9(10)14-8(6)11-5-7-2-3-13-15-7/h2-4H,5H2,1H3,(H,13,15)(H,11,12,14)
InChIKeyHRYVOCODUPTALQ-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.77
Rot. Bonds3

About 2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine

2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106194417) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106194417
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCc1ccn[nH]1
InChIInChI=1S/C9H10ClN5/c1-6-4-12-9(10)14-8(6)11-5-7-2-3-13-15-7/h2-4H,5H2,1H3,(H,13,15)(H,11,12,14)
InChIKeyHRYVOCODUPTALQ-UHFFFAOYSA-N
XLogP1.77
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine (CID 106194417) is 2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine is Cc1cnc(Cl)nc1NCc1ccn[nH]1.
What is the InChIKey of 2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is HRYVOCODUPTALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-6-4-12-9(10)14-8(6)11-5-7-2-3-13-15-7/h2-4H,5H2,1H3,(H,13,15)(H,11,12,14).
What are the key properties of 2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 223.67 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106194417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).