1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea

C16H15N5O — CID 71849011

IUPAC1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea
SMILESNc1ccnc(CNC(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C16H15N5O/c17-14-8-9-18-15(21-14)10-19-16(22)20-13-7-3-5-11-4-1-2-6-12(11)13/h1-9H,10H2,(H2,17,18,21)(H2,19,20,22)
InChIKeyVYQNKYCIMGLNMW-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.53
Rot. Bonds3

About 1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea

1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea (PubChem CID 71849011) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea
PubChem CID71849011
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea
SMILESNc1ccnc(CNC(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C16H15N5O/c17-14-8-9-18-15(21-14)10-19-16(22)20-13-7-3-5-11-4-1-2-6-12(11)13/h1-9H,10H2,(H2,17,18,21)(H2,19,20,22)
InChIKeyVYQNKYCIMGLNMW-UHFFFAOYSA-N
XLogP2.53
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
CID 108884702
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
4-amino-N-naphthalen-1-ylpyridine-2-carboxamide
CID 62152141
1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea
CID 72718258
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2-hydroxy-3-(naphthalen-1-ylcarbamoylamino)propanamide
CID 107258515
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea (CID 71849011) is 1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea is Nc1ccnc(CNC(=O)Nc2cccc3ccccc23)n1.
What is the InChIKey of 1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea?
The InChIKey is VYQNKYCIMGLNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-14-8-9-18-15(21-14)10-19-16(22)20-13-7-3-5-11-4-1-2-6-12(11)13/h1-9H,10H2,(H2,17,18,21)(H2,19,20,22).
What are the key properties of 1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea?
1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea has a molecular weight of 293.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 71849011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).