4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine

C16H24N6 — CID 53172454

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
SMILESCc1cc(C)n(-c2ccnc(NCCN3CCCCC3)n2)n1
InChIInChI=1S/C16H24N6/c1-13-12-14(2)22(20-13)15-6-7-17-16(19-15)18-8-11-21-9-4-3-5-10-21/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,18,19)
InChIKeyMVZPNISGAYHINC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.18
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine

4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine (PubChem CID 53172454) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
PubChem CID53172454
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
SMILESCc1cc(C)n(-c2ccnc(NCCN3CCCCC3)n2)n1
InChIInChI=1S/C16H24N6/c1-13-12-14(2)22(20-13)15-6-7-17-16(19-15)18-8-11-21-9-4-3-5-10-21/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,18,19)
InChIKeyMVZPNISGAYHINC-UHFFFAOYSA-N
XLogP2.18
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine (CID 53172454) is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine is Cc1cc(C)n(-c2ccnc(NCCN3CCCCC3)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The InChIKey is MVZPNISGAYHINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-13-12-14(2)22(20-13)15-6-7-17-16(19-15)18-8-11-21-9-4-3-5-10-21/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 53172454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).