5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine

C10H13ClN6 — CID 82875453

IUPAC5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCc2ccn(C)n2)n1
InChIInChI=1S/C10H13ClN6/c1-12-10-14-6-8(11)9(15-10)13-5-7-3-4-17(2)16-7/h3-4,6H,5H2,1-2H3,(H2,12,13,14,15)
InChIKeyZKQPQYBYIIEXEF-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.52
Rot. Bonds4

About 5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine

5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 82875453) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID82875453
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCc2ccn(C)n2)n1
InChIInChI=1S/C10H13ClN6/c1-12-10-14-6-8(11)9(15-10)13-5-7-3-4-17(2)16-7/h3-4,6H,5H2,1-2H3,(H2,12,13,14,15)
InChIKeyZKQPQYBYIIEXEF-UHFFFAOYSA-N
XLogP1.52
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777970
3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 102751690
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785478
5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80813779
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82872733
5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114170995
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932
2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874404
3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 106875865
3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 115757903
5-chloro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848842
6-chloro-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82873713

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 82875453) is 5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(Cl)c(NCc2ccn(C)n2)n1.
What is the InChIKey of 5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZKQPQYBYIIEXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-12-10-14-6-8(11)9(15-10)13-5-7-3-4-17(2)16-7/h3-4,6H,5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine?
5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 252.71 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 82875453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).