6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine

C15H27N5 — CID 95211925

IUPAC6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(CCN)cc(N(C)C[C@@H]2CCCCN2C)n1
InChIInChI=1S/C15H27N5/c1-12-17-13(7-8-16)10-15(18-12)20(3)11-14-6-4-5-9-19(14)2/h10,14H,4-9,11,16H2,1-3H3/t14-/m0/s1
InChIKeyDBNQDOXSZOSJLB-AWEZNQCLSA-N
MW277.42 g/mol
LogP1.21
Rot. Bonds5

About 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine

6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 95211925) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID95211925
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(CCN)cc(N(C)C[C@@H]2CCCCN2C)n1
InChIInChI=1S/C15H27N5/c1-12-17-13(7-8-16)10-15(18-12)20(3)11-14-6-4-5-9-19(14)2/h10,14H,4-9,11,16H2,1-3H3/t14-/m0/s1
InChIKeyDBNQDOXSZOSJLB-AWEZNQCLSA-N
XLogP1.21
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-(2-aminoethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 56718429
4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848121
2-[6-[(2R)-2-ethylpiperidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine
CID 95218180
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772433
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848122
4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318214
2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861920
6-(2-aminoethyl)-N-ethyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 95207222
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 107926272
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine (CID 95211925) is 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine is Cc1nc(CCN)cc(N(C)C[C@@H]2CCCCN2C)n1.
What is the InChIKey of 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is DBNQDOXSZOSJLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27N5/c1-12-17-13(7-8-16)10-15(18-12)20(3)11-14-6-4-5-9-19(14)2/h10,14H,4-9,11,16H2,1-3H3/t14-/m0/s1.
What are the key properties of 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine?
6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 95211925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).