6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine

C14H22N6 — CID 80808626

IUPAC6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC(C)Cn2cccn2)c1C(C)C
InChIInChI=1S/C14H22N6/c1-10(2)12-13(15-4)16-9-17-14(12)19-11(3)8-20-7-5-6-18-20/h5-7,9-11H,8H2,1-4H3,(H2,15,16,17,19)
InChIKeyJXBTZUNTFKNFJN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.34
Rot. Bonds6

About 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine

6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80808626) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80808626
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC(C)Cn2cccn2)c1C(C)C
InChIInChI=1S/C14H22N6/c1-10(2)12-13(15-4)16-9-17-14(12)19-11(3)8-20-7-5-6-18-20/h5-7,9-11H,8H2,1-4H3,(H2,15,16,17,19)
InChIKeyJXBTZUNTFKNFJN-UHFFFAOYSA-N
XLogP2.34
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N,2,5-trimethyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809420
4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813471
6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80895976
3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 106875596
3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid
CID 62709836
5-bromo-3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79718486
6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 66330165
2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934571
3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750617
6-N-methyl-2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809780
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80809433
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine (CID 80808626) is 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine is CNc1ncnc(NC(C)Cn2cccn2)c1C(C)C.
What is the InChIKey of 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is JXBTZUNTFKNFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10(2)12-13(15-4)16-9-17-14(12)19-11(3)8-20-7-5-6-18-20/h5-7,9-11H,8H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80808626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).