6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine

C10H12ClN7 — CID 80813733

IUPAC6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCc2ccnc(C)n2)n1
InChIInChI=1S/C10H12ClN7/c1-6-13-4-3-7(15-6)5-14-10-17-8(11)16-9(12-2)18-10/h3-4H,5H2,1-2H3,(H2,12,14,16,17,18)
InChIKeySNDSRVWUFSQPNN-UHFFFAOYSA-N
MW265.71 g/mol
LogP1.28
Rot. Bonds4

About 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80813733) has the molecular formula C10H12ClN7 and a molecular weight of 265.71 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80813733
Molecular FormulaC10H12ClN7
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCc2ccnc(C)n2)n1
InChIInChI=1S/C10H12ClN7/c1-6-13-4-3-7(15-6)5-14-10-17-8(11)16-9(12-2)18-10/h3-4H,5H2,1-2H3,(H2,12,14,16,17,18)
InChIKeySNDSRVWUFSQPNN-UHFFFAOYSA-N
XLogP1.28
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine
CID 82237575
5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
2,3,5,6-tetrafluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 107644035
5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747144
3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 62711849
6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767581
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747499
N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79507389
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
2-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]benzenecarbothioamide
CID 62496023
6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80814068

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 80813733) is 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCc2ccnc(C)n2)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SNDSRVWUFSQPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7/c1-6-13-4-3-7(15-6)5-14-10-17-8(11)16-9(12-2)18-10/h3-4H,5H2,1-2H3,(H2,12,14,16,17,18).
What are the key properties of 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 265.71 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80813733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).