anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane

C27H46N6O — CID 142861908

IUPACanisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane
SMILESCC.CNc1cc(N(C)C)nc(N2CCN(CC3CCCCC3)CC2)n1.COc1ccccc1
InChIInChI=1S/C18H32N6.C7H8O.C2H6/c1-19-16-13-17(22(2)3)21-18(20-16)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15;1-8-7-5-3-2-4-6-7;1-2/h13,15H,4-12,14H2,1-3H3,(H,19,20,21);2-6H,1H3;1-2H3
InChIKeyIZRLYTZRWFGVDY-UHFFFAOYSA-N
MW470.71 g/mol
LogP5.01
Rot. Bonds6

About anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane

anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane (PubChem CID 142861908) has the molecular formula C27H46N6O and a molecular weight of 470.71 g/mol. Its IUPAC name is anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane.

Molecular Properties

Compound Nameanisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane
PubChem CID142861908
Molecular FormulaC27H46N6O
Molecular Weight470.71 g/mol
Exact Mass470.37
IUPAC Nameanisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane
SMILESCC.CNc1cc(N(C)C)nc(N2CCN(CC3CCCCC3)CC2)n1.COc1ccccc1
InChIInChI=1S/C18H32N6.C7H8O.C2H6/c1-19-16-13-17(22(2)3)21-18(20-16)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15;1-8-7-5-3-2-4-6-7;1-2/h13,15H,4-12,14H2,1-3H3,(H,19,20,21);2-6H,1H3;1-2H3
InChIKeyIZRLYTZRWFGVDY-UHFFFAOYSA-N
XLogP5.01
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.71
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine
CID 142861909
2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 142861903
2-(4-benzylpiperazin-1-yl)-6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863836
6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 10366817
6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine
CID 68563369
2-(4-benzylpiperazin-1-yl)-6-N-[3-(difluoromethyl)-5-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 67556320
2-(4-benzylpiperazin-1-yl)-6-N-(4-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863852
2-(4-benzylpiperazin-1-yl)-6-N-[(2R,3R)-3-(2,2-dimethylcyclobutyl)butan-2-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 70948212
2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 10203425
2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 80960691
4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine
CID 68560252
N,N-dimethyl-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133279645

Frequently Asked Questions

What is the IUPAC name of anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane?
The IUPAC name of anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane (CID 142861908) is anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane.
What is the SMILES notation for anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane?
The canonical SMILES for anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane is CC.CNc1cc(N(C)C)nc(N2CCN(CC3CCCCC3)CC2)n1.COc1ccccc1.
What is the InChIKey of anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane?
The InChIKey is IZRLYTZRWFGVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6.C7H8O.C2H6/c1-19-16-13-17(22(2)3)21-18(20-16)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15;1-8-7-5-3-2-4-6-7;1-2/h13,15H,4-12,14H2,1-3H3,(H,19,20,21);2-6H,1H3;1-2H3.
What are the key properties of anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane?
anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane has a molecular weight of 470.71 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane is sourced from PubChem (CID 142861908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).