5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine

C10H14ClN7 — CID 114170995

IUPAC5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCCn1cnnc1CNc1nc(NC)ncc1Cl
InChIInChI=1S/C10H14ClN7/c1-3-18-6-15-17-8(18)5-13-9-7(11)4-14-10(12-2)16-9/h4,6H,3,5H2,1-2H3,(H2,12,13,14,16)
InChIKeyNTZKSGQMPDDNFU-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.40
Rot. Bonds5

About 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine

5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine (PubChem CID 114170995) has the molecular formula C10H14ClN7 and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
PubChem CID114170995
Molecular FormulaC10H14ClN7
Molecular Weight267.72 g/mol
Exact Mass267.10
IUPAC Name5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCCn1cnnc1CNc1nc(NC)ncc1Cl
InChIInChI=1S/C10H14ClN7/c1-3-18-6-15-17-8(18)5-13-9-7(11)4-14-10(12-2)16-9/h4,6H,3,5H2,1-2H3,(H2,12,13,14,16)
InChIKeyNTZKSGQMPDDNFU-UHFFFAOYSA-N
XLogP1.40
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine with MolForge

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Related Compounds

5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 106303918
2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 106303932
5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 82875453
2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106304573
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 106304492
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785478
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808035
4-chloro-6-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 114170948
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777970
6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 106303917

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine (CID 114170995) is 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine is CCn1cnnc1CNc1nc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is NTZKSGQMPDDNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7/c1-3-18-6-15-17-8(18)5-13-9-7(11)4-14-10(12-2)16-9/h4,6H,3,5H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 267.72 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 114170995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).