2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine

C9H12N6 — CID 115978219

IUPAC2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NCCn2cccn2)n1
InChIInChI=1S/C9H12N6/c10-8-2-4-11-9(14-8)12-5-7-15-6-1-3-13-15/h1-4,6H,5,7H2,(H3,10,11,12,14)
InChIKeyMNGCZITWXXMKHV-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.37
Rot. Bonds4

About 2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine

2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine (PubChem CID 115978219) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
PubChem CID115978219
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NCCn2cccn2)n1
InChIInChI=1S/C9H12N6/c10-8-2-4-11-9(14-8)12-5-7-15-6-1-3-13-15/h1-4,6H,5,7H2,(H3,10,11,12,14)
InChIKeyMNGCZITWXXMKHV-UHFFFAOYSA-N
XLogP0.37
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid
CID 107553542
6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 116795802
2-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 131141065
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80809598
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124
3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile
CID 82817533
N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine
CID 164660933

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine (CID 115978219) is 2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine is Nc1ccnc(NCCn2cccn2)n1.
What is the InChIKey of 2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is MNGCZITWXXMKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c10-8-2-4-11-9(14-8)12-5-7-15-6-1-3-13-15/h1-4,6H,5,7H2,(H3,10,11,12,14).
What are the key properties of 2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 204.24 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 115978219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).