6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine

C13H17N5 — CID 138031055

IUPAC6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1[nH]nc(CNc2cc(C3CC3)ncn2)c1C
InChIInChI=1S/C13H17N5/c1-8-9(2)17-18-12(8)6-14-13-5-11(10-3-4-10)15-7-16-13/h5,7,10H,3-4,6H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyQOGPLCISNQDDLH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.31
Rot. Bonds4

About 6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine

6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 138031055) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID138031055
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1[nH]nc(CNc2cc(C3CC3)ncn2)c1C
InChIInChI=1S/C13H17N5/c1-8-9(2)17-18-12(8)6-14-13-5-11(10-3-4-10)15-7-16-13/h5,7,10H,3-4,6H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyQOGPLCISNQDDLH-UHFFFAOYSA-N
XLogP2.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine (CID 138031055) is 6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine is Cc1[nH]nc(CNc2cc(C3CC3)ncn2)c1C.
What is the InChIKey of 6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is QOGPLCISNQDDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-9(2)17-18-12(8)6-14-13-5-11(10-3-4-10)15-7-16-13/h5,7,10H,3-4,6H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine?
6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 138031055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).