2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine

C9H12N6 — CID 61348476

IUPAC2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
SMILESCn1cc(CNc2ncc(N)cn2)cn1
InChIInChI=1S/C9H12N6/c1-15-6-7(3-14-15)2-11-9-12-4-8(10)5-13-9/h3-6H,2,10H2,1H3,(H,11,12,13)
InChIKeyZHVGCKYXMCDSKG-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.40
Rot. Bonds3

About 2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine

2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine (PubChem CID 61348476) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
PubChem CID61348476
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
SMILESCn1cc(CNc2ncc(N)cn2)cn1
InChIInChI=1S/C9H12N6/c1-15-6-7(3-14-15)2-11-9-12-4-8(10)5-13-9/h3-6H,2,10H2,1H3,(H,11,12,13)
InChIKeyZHVGCKYXMCDSKG-UHFFFAOYSA-N
XLogP0.40
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816721
2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 61350782
2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80816988
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 75355989
4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61350597
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80816887
5-amino-2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 79896384
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 61351162
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
5-chloro-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816474
2-ethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935409

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine (CID 61348476) is 2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine is Cn1cc(CNc2ncc(N)cn2)cn1.
What is the InChIKey of 2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine?
The InChIKey is ZHVGCKYXMCDSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-15-6-7(3-14-15)2-11-9-12-4-8(10)5-13-9/h3-6H,2,10H2,1H3,(H,11,12,13).
What are the key properties of 2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine?
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine has a molecular weight of 204.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 61348476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).