1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea

C16H33N5O2 — CID 140900443

IUPAC1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea
SMILESCC(O)CNC1CC(C)NC(NC(=O)NC2CCCC(C)C2)N1
InChIInChI=1S/C16H33N5O2/c1-10-5-4-6-13(7-10)19-16(23)21-15-18-11(2)8-14(20-15)17-9-12(3)22/h10-15,17-18,20,22H,4-9H2,1-3H3,(H2,19,21,23)
InChIKeyPPKQNQOYLPTHAH-UHFFFAOYSA-N
MW327.47 g/mol
LogP0.42
Rot. Bonds5

About 1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea

1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea (PubChem CID 140900443) has the molecular formula C16H33N5O2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea
PubChem CID140900443
Molecular FormulaC16H33N5O2
Molecular Weight327.47 g/mol
Exact Mass327.26
IUPAC Name1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea
SMILESCC(O)CNC1CC(C)NC(NC(=O)NC2CCCC(C)C2)N1
InChIInChI=1S/C16H33N5O2/c1-10-5-4-6-13(7-10)19-16(23)21-15-18-11(2)8-14(20-15)17-9-12(3)22/h10-15,17-18,20,22H,4-9H2,1-3H3,(H2,19,21,23)
InChIKeyPPKQNQOYLPTHAH-UHFFFAOYSA-N
XLogP0.42
TPSA97.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 50.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(Cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 75379635
1-[4-[2-(2-Hydroxyethoxy)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900417
1-[4-(2-Hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 140900454
1-[4-(2-Hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900458
1-[4-(2-Hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900523
1-[4-(4-Hydroxybutylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900554
1-[4-(2-Hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 140900587
1-[4-(2,3-Dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea
CID 140900621
1-[4-(2,3-Dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900624
1-[4-Fluoro-3-(trifluoromethyl)cyclohexyl]-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900643
1-(4-Fluoro-3-methylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 145147106
1-(2-Cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea
CID 15541416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea?
The IUPAC name of 1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea (CID 140900443) is 1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea.
What is the SMILES notation for 1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea?
The canonical SMILES for 1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea is CC(O)CNC1CC(C)NC(NC(=O)NC2CCCC(C)C2)N1.
What is the InChIKey of 1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea?
The InChIKey is PPKQNQOYLPTHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O2/c1-10-5-4-6-13(7-10)19-16(23)21-15-18-11(2)8-14(20-15)17-9-12(3)22/h10-15,17-18,20,22H,4-9H2,1-3H3,(H2,19,21,23).
What are the key properties of 1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea?
1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea has a molecular weight of 327.47 g/mol, XLogP of 0.42, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea is sourced from PubChem (CID 140900443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).