6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine

C12H14ClN5 — CID 63023072

IUPAC6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
SMILESCN(CCc1ccncc1)c1ncnc(Cl)c1N
InChIInChI=1S/C12H14ClN5/c1-18(7-4-9-2-5-15-6-3-9)12-10(14)11(13)16-8-17-12/h2-3,5-6,8H,4,7,14H2,1H3
InChIKeyPUPYGDITBVMRFZ-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.79
Rot. Bonds4

About 6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine

6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine (PubChem CID 63023072) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
PubChem CID63023072
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
SMILESCN(CCc1ccncc1)c1ncnc(Cl)c1N
InChIInChI=1S/C12H14ClN5/c1-18(7-4-9-2-5-15-6-3-9)12-10(14)11(13)16-8-17-12/h2-3,5-6,8H,4,7,14H2,1H3
InChIKeyPUPYGDITBVMRFZ-UHFFFAOYSA-N
XLogP1.79
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-methyl-4-N-propylpyrimidine-4,5-diamine
CID 63024110
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
CID 80503008
2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 79075884
5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791974
8-bromo-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 110433410
6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739
ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate
CID 114074473
4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate
CID 6984815
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine
CID 6917214
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62281580
5-(aminomethyl)-N,3-dimethyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 80630342

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine (CID 63023072) is 6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine is CN(CCc1ccncc1)c1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is PUPYGDITBVMRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-18(7-4-9-2-5-15-6-3-9)12-10(14)11(13)16-8-17-12/h2-3,5-6,8H,4,7,14H2,1H3.
What are the key properties of 6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine?
6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 263.73 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63023072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).