5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine

C13H23N5 — CID 80812781

IUPAC5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC1CCCCN1C
InChIInChI=1S/C13H23N5/c1-3-11-12(14)16-9-17-13(11)15-8-10-6-4-5-7-18(10)2/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyUTFWGJIANPPSEC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.52
Rot. Bonds4

About 5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine

5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80812781) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80812781
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC1CCCCN1C
InChIInChI=1S/C13H23N5/c1-3-11-12(14)16-9-17-13(11)15-8-10-6-4-5-7-18(10)2/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyUTFWGJIANPPSEC-UHFFFAOYSA-N
XLogP1.52
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
CID 80839219
4-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 106029026
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 80903432
4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 114138405
3,5-dichloro-6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 102761888
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80819508
2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80983916
5,7-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190031
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine
CID 80829852
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 106022717

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine (CID 80812781) is 5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCC1CCCCN1C.
What is the InChIKey of 5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is UTFWGJIANPPSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-11-12(14)16-9-17-13(11)15-8-10-6-4-5-7-18(10)2/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80812781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).