1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea

C19H27N5O — CID 122356425

IUPAC1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H27N5O/c1-12-16(13(2)21-17(20-12)24(6)7)23-18(25)22-15-10-8-14(9-11-15)19(3,4)5/h8-11H,1-7H3,(H2,22,23,25)
InChIKeyMUZCPGODJYKNMO-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.10
Rot. Bonds3

About 1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea

1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea (PubChem CID 122356425) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea
PubChem CID122356425
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H27N5O/c1-12-16(13(2)21-17(20-12)24(6)7)23-18(25)22-15-10-8-14(9-11-15)19(3,4)5/h8-11H,1-7H3,(H2,22,23,25)
InChIKeyMUZCPGODJYKNMO-UHFFFAOYSA-N
XLogP4.10
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122356200
1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
CID 122303902
1-(4-tert-butylphenyl)-3-(2,6-dimethylphenyl)urea
CID 108884885
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862
1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47433240
1-(4-tert-butylphenyl)-3-(4-chloro-6-methylpyrimidin-2-yl)urea
CID 122507249
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122356325
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
1-(4-tert-butylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871893

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea (CID 122356425) is 1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea is Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea?
The InChIKey is MUZCPGODJYKNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-12-16(13(2)21-17(20-12)24(6)7)23-18(25)22-15-10-8-14(9-11-15)19(3,4)5/h8-11H,1-7H3,(H2,22,23,25).
What are the key properties of 1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea?
1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea has a molecular weight of 341.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea is sourced from PubChem (CID 122356425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).