1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea

C14H17N5O — CID 71790087

IUPAC1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C14H17N5O/c1-10-6-4-5-7-12(10)18-14(20)17-11-8-15-13(16-9-11)19(2)3/h4-9H,1-3H3,(H2,17,18,20)
InChIKeyNAPRMOBHTDRUCE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.50
Rot. Bonds3

About 1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea

1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea (PubChem CID 71790087) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea
PubChem CID71790087
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C14H17N5O/c1-10-6-4-5-7-12(10)18-14(20)17-11-8-15-13(16-9-11)19(2)3/h4-9H,1-3H3,(H2,17,18,20)
InChIKeyNAPRMOBHTDRUCE-UHFFFAOYSA-N
XLogP2.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(6-bromo-5-chloro-3-pyridinyl)-3-(2-methylphenyl)urea
CID 166636734
1-(2-methylphenyl)-3-pyrimidin-2-ylurea
CID 6477188
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide
CID 95985264
1-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 91966423
[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium
CID 148876031
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222
N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide
CID 122149755

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea (CID 71790087) is 1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1.
What is the InChIKey of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea?
The InChIKey is NAPRMOBHTDRUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-6-4-5-7-12(10)18-14(20)17-11-8-15-13(16-9-11)19(2)3/h4-9H,1-3H3,(H2,17,18,20).
What are the key properties of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea?
1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 71790087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).