1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea

C19H27N5O3 — CID 134297430

IUPAC1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea
SMILESCC1CC(NCC(O)CO)NC(NC(=O)Nc2ccc3ccccc3c2)N1
InChIInChI=1S/C19H27N5O3/c1-12-8-17(20-10-16(26)11-25)23-18(21-12)24-19(27)22-15-7-6-13-4-2-3-5-14(13)9-15/h2-7,9,12,16-18,20-21,23,25-26H,8,10-11H2,1H3,(H2,22,24,27)
InChIKeyFGPNWQJJXHQEBN-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.49
Rot. Bonds6

About 1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea

1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea (PubChem CID 134297430) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea
PubChem CID134297430
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea
SMILESCC1CC(NCC(O)CO)NC(NC(=O)Nc2ccc3ccccc3c2)N1
InChIInChI=1S/C19H27N5O3/c1-12-8-17(20-10-16(26)11-25)23-18(21-12)24-19(27)22-15-7-6-13-4-2-3-5-14(13)9-15/h2-7,9,12,16-18,20-21,23,25-26H,8,10-11H2,1H3,(H2,22,24,27)
InChIKeyFGPNWQJJXHQEBN-UHFFFAOYSA-N
XLogP0.49
TPSA117.68 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 50.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-methyl-6-[4-(methylamino)butylamino]-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea
CID 134297686
1-[4-(4-aminobutylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea
CID 134297433
1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 145146988
1-(3,4-dimethylphenyl)-3-[4-methyl-6-[2-(methylamino)ethylamino]-1,3-diazinan-2-yl]urea
CID 145146933
1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]-3-phenylurea
CID 145147158
1-[4-(3-aminopropylamino)-6-methyl-1,3-diazinan-2-yl]-3-phenylurea
CID 145147120
1-(3-chloro-4-fluorophenyl)-3-[4-methyl-6-[2-(methylamino)ethylamino]-1,3-diazinan-2-yl]urea
CID 145147169
1-[1-hexyl-6-methyl-4-[2-(methylamino)ethylamino]-1,3-diazinan-2-yl]-3-[7-[[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)-1,3-diazinan-4-yl]amino]propylamino]methyl]naphthalen-2-yl]urea
CID 142295451
1-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 134297461
1-[4-(butylamino)-6-methyl-1,3-diazinan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 134297482
1-[1-decyl-4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea
CID 166712489
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide
CID 145147032

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea (CID 134297430) is 1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea is CC1CC(NCC(O)CO)NC(NC(=O)Nc2ccc3ccccc3c2)N1.
What is the InChIKey of 1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea?
The InChIKey is FGPNWQJJXHQEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12-8-17(20-10-16(26)11-25)23-18(21-12)24-19(27)22-15-7-6-13-4-2-3-5-14(13)9-15/h2-7,9,12,16-18,20-21,23,25-26H,8,10-11H2,1H3,(H2,22,24,27).
What are the key properties of 1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea?
1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea has a molecular weight of 373.46 g/mol, XLogP of 0.49, 6 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 134297430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).