5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

C13H16ClN5 — CID 80830405

IUPAC5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCc2ncccc2C)n1
InChIInChI=1S/C13H16ClN5/c1-3-15-13-18-7-10(14)12(19-13)17-8-11-9(2)5-4-6-16-11/h4-7H,3,8H2,1-2H3,(H2,15,17,18,19)
InChIKeyVFOJEZJTISTFBH-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.88
Rot. Bonds5

About 5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80830405) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID80830405
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCc2ncccc2C)n1
InChIInChI=1S/C13H16ClN5/c1-3-15-13-18-7-10(14)12(19-13)17-8-11-9(2)5-4-6-16-11/h4-7H,3,8H2,1-2H3,(H2,15,17,18,19)
InChIKeyVFOJEZJTISTFBH-UHFFFAOYSA-N
XLogP2.88
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80747986
3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758255
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306272
5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
CID 80855209
5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771359
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633
3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 113424030

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 80830405) is 5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NCc2ncccc2C)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is VFOJEZJTISTFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-3-15-13-18-7-10(14)12(19-13)17-8-11-9(2)5-4-6-16-11/h4-7H,3,8H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 277.76 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80830405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).