N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine

C15H27N5 — CID 112910679

IUPACN',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1cc(N2CCC(C)CC2)nc(NCCN(C)C)n1
InChIInChI=1S/C15H27N5/c1-12-5-8-20(9-6-12)14-11-13(2)17-15(18-14)16-7-10-19(3)4/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyYLTVXBGXXGVBBI-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.99
Rot. Bonds5

About N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 112910679) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID112910679
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1cc(N2CCC(C)CC2)nc(NCCN(C)C)n1
InChIInChI=1S/C15H27N5/c1-12-5-8-20(9-6-12)14-11-13(2)17-15(18-14)16-7-10-19(3)4/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyYLTVXBGXXGVBBI-UHFFFAOYSA-N
XLogP1.99
TPSA44.29 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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910693
N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910692
[4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112912995
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
CID 80764678
N-(3,5-dichlorophenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910843
4-(3,5-dimethylpiperidin-1-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80766891
N-(2,6-diethylphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910772
N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
CID 112935945
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825182
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112913021
2-[2-(dimethylsulfamoylamino)ethylamino]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 121075493
4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine
CID 80837570

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine (CID 112910679) is N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine is Cc1cc(N2CCC(C)CC2)nc(NCCN(C)C)n1.
What is the InChIKey of N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is YLTVXBGXXGVBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12-5-8-20(9-6-12)14-11-13(2)17-15(18-14)16-7-10-19(3)4/h11-12H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 277.42 g/mol, XLogP of 1.99, 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-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 112910679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).