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

C13H16ClN5 — CID 80791754

IUPAC5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCCc2ccncc2)n1
InChIInChI=1S/C13H16ClN5/c1-2-16-13-18-9-11(14)12(19-13)17-8-5-10-3-6-15-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18,19)
InChIKeyHYUUECCIVMCEIB-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.61
Rot. Bonds6

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

5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80791754) 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-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID80791754
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCCc2ccncc2)n1
InChIInChI=1S/C13H16ClN5/c1-2-16-13-18-9-11(14)12(19-13)17-8-5-10-3-6-15-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18,19)
InChIKeyHYUUECCIVMCEIB-UHFFFAOYSA-N
XLogP2.61
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80788298
4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797848
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-chloro-2-N-(2-pyridin-4-ylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 164614922
6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855284
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675
2-hydrazinyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899340
1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
CID 113498154
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
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-(3-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 80811591
5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771359

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 80791754) is 5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NCCc2ccncc2)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is HYUUECCIVMCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-2-16-13-18-9-11(14)12(19-13)17-8-5-10-3-6-15-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 277.76 g/mol, XLogP of 2.61, 6 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-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80791754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).