N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine

C14H25N5 — CID 66903521

IUPACN',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCC1CCCN(c2nccc(NCCN(C)C)n2)C1
InChIInChI=1S/C14H25N5/c1-12-5-4-9-19(11-12)14-16-7-6-13(17-14)15-8-10-18(2)3/h6-7,12H,4-5,8-11H2,1-3H3,(H,15,16,17)
InChIKeyFPEFTDBUWHENTQ-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.69
Rot. Bonds5

About N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 66903521) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID66903521
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCC1CCCN(c2nccc(NCCN(C)C)n2)C1
InChIInChI=1S/C14H25N5/c1-12-5-4-9-19(11-12)14-16-7-6-13(17-14)15-8-10-18(2)3/h6-7,12H,4-5,8-11H2,1-3H3,(H,15,16,17)
InChIKeyFPEFTDBUWHENTQ-UHFFFAOYSA-N
XLogP1.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide
CID 66903414
N',N'-dimethyl-N-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 112912830
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112891407
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112896931
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine
CID 112936106
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
ethyl 4-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperazine-1-carboxylate
CID 112887005
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine (CID 66903521) is N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine is CC1CCCN(c2nccc(NCCN(C)C)n2)C1.
What is the InChIKey of N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is FPEFTDBUWHENTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-12-5-4-9-19(11-12)14-16-7-6-13(17-14)15-8-10-18(2)3/h6-7,12H,4-5,8-11H2,1-3H3,(H,15,16,17).
What are the key properties of N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 66903521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).