5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine

C16H29N5 — CID 171070128

IUPAC5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine
SMILESCC1=CNC(NC2CCC(N3CCN(C)CC3)CC2)=NC1
InChIInChI=1S/C16H29N5/c1-13-11-17-16(18-12-13)19-14-3-5-15(6-4-14)21-9-7-20(2)8-10-21/h11,14-15H,3-10,12H2,1-2H3,(H2,17,18,19)
InChIKeyVCDPQKFVRSEHEZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.00
Rot. Bonds2

About 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine

5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine (PubChem CID 171070128) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine
PubChem CID171070128
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine
SMILESCC1=CNC(NC2CCC(N3CCN(C)CC3)CC2)=NC1
InChIInChI=1S/C16H29N5/c1-13-11-17-16(18-12-13)19-14-3-5-15(6-4-14)21-9-7-20(2)8-10-21/h11,14-15H,3-10,12H2,1-2H3,(H2,17,18,19)
InChIKeyVCDPQKFVRSEHEZ-UHFFFAOYSA-N
XLogP1.00
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,4-dihydropyrimidine
CID 143698801
1-[2-(2-Methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111056801
1-[2-(2-Methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111056802
1-[2-[Cyclohexyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111057318
1-[(1-Ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111803501
1-[(1-Ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine
CID 111803502
2-[2-[Butyl(methyl)amino]ethyl]-1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]guanidine
CID 112012537
1-Ethyl-2-[2-[ethyl(propyl)amino]ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]guanidine
CID 112034441
1-[(1-Ethylpiperidin-2-yl)methyl]-2-methyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]guanidine;hydroiodide
CID 112100265
1-[(1-Ethylpiperidin-2-yl)methyl]-2-methyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]guanidine
CID 112100266
1-Ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]guanidine;hydroiodide
CID 112100267
1-Ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]guanidine
CID 112100268

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine (CID 171070128) is 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine is CC1=CNC(NC2CCC(N3CCN(C)CC3)CC2)=NC1.
What is the InChIKey of 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine?
The InChIKey is VCDPQKFVRSEHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-13-11-17-16(18-12-13)19-14-3-5-15(6-4-14)21-9-7-20(2)8-10-21/h11,14-15H,3-10,12H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine?
5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 171070128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).