4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine

C12H21N5 — CID 80820622

IUPAC4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCN1CCC(N(C)c2cc(N)ncn2)CC1
InChIInChI=1S/C12H21N5/c1-3-17-6-4-10(5-7-17)16(2)12-8-11(13)14-9-15-12/h8-10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyDRAWTTKWKOCZPS-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.98
Rot. Bonds3

About 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine

4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80820622) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID80820622
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCN1CCC(N(C)c2cc(N)ncn2)CC1
InChIInChI=1S/C12H21N5/c1-3-17-6-4-10(5-7-17)16(2)12-8-11(13)14-9-15-12/h8-10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyDRAWTTKWKOCZPS-UHFFFAOYSA-N
XLogP0.98
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-6-ethyl-N-methylpyrimidin-4-amine
CID 131155760
4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80821259
3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 55004205
2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 62481992
N-(1,1-dioxothiolan-3-yl)-6-(4-ethylpiperazin-1-yl)-N-methylpyrimidin-4-amine
CID 112858053
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80829312
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine
CID 62912336
5-amino-2-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-3-carbonitrile
CID 55004204
4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80820695
4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80820786
3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80740106
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848122

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine (CID 80820622) is 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine is CCN1CCC(N(C)c2cc(N)ncn2)CC1.
What is the InChIKey of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is DRAWTTKWKOCZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-17-6-4-10(5-7-17)16(2)12-8-11(13)14-9-15-12/h8-10H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine?
4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 235.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80820622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).