6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

C15H21N5 — CID 80933212

IUPAC6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccncc2)nc(CC)n1
InChIInChI=1S/C15H21N5/c1-3-13-19-14(17-4-2)11-15(20-13)18-10-7-12-5-8-16-9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyBMLUIWBMOXMSHP-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.52
Rot. Bonds7

About 6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80933212) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID80933212
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccncc2)nc(CC)n1
InChIInChI=1S/C15H21N5/c1-3-13-19-14(17-4-2)11-15(20-13)18-10-7-12-5-8-16-9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyBMLUIWBMOXMSHP-UHFFFAOYSA-N
XLogP2.52
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939872
2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80960959
6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80935379
4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80933216
2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80987116
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
N,2-diethyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 80935529
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013
6-N,2-diethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80935445
6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
CID 80772345
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (CID 80933212) is 6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is CCNc1cc(NCCc2ccncc2)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is BMLUIWBMOXMSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-13-19-14(17-4-2)11-15(20-13)18-10-7-12-5-8-16-9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).