1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea

C21H24N6O — CID 56920649

IUPAC1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
SMILESO=C(NCCNc1cc(N2CCCC2)ncn1)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H24N6O/c28-21(26-18-8-7-16-5-1-2-6-17(16)13-18)23-10-9-22-19-14-20(25-15-24-19)27-11-3-4-12-27/h1-2,5-8,13-15H,3-4,9-12H2,(H,22,24,25)(H2,23,26,28)
InChIKeyFDKLWFVHBOLLNR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.46
Rot. Bonds6

About 1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea

1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea (PubChem CID 56920649) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
PubChem CID56920649
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
SMILESO=C(NCCNc1cc(N2CCCC2)ncn1)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H24N6O/c28-21(26-18-8-7-16-5-1-2-6-17(16)13-18)23-10-9-22-19-14-20(25-15-24-19)27-11-3-4-12-27/h1-2,5-8,13-15H,3-4,9-12H2,(H,22,24,25)(H2,23,26,28)
InChIKeyFDKLWFVHBOLLNR-UHFFFAOYSA-N
XLogP3.46
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-naphthalen-2-ylurea
CID 121072721
2-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 122327552
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 56921964
1-(4-methoxyphenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50944516
1-(3-methylphenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50945080
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide
CID 122327585
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122327846
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122308040
2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327629

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea?
The IUPAC name of 1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea (CID 56920649) is 1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea.
What is the SMILES notation for 1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea?
The canonical SMILES for 1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea is O=C(NCCNc1cc(N2CCCC2)ncn1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea?
The InChIKey is FDKLWFVHBOLLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(26-18-8-7-16-5-1-2-6-17(16)13-18)23-10-9-22-19-14-20(25-15-24-19)27-11-3-4-12-27/h1-2,5-8,13-15H,3-4,9-12H2,(H,22,24,25)(H2,23,26,28).
What are the key properties of 1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea?
1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea has a molecular weight of 376.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea is sourced from PubChem (CID 56920649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).