1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea

C14H17N5O — CID 12764749

IUPAC1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea
SMILESCC(C)NC(=O)N(C)c1ccnc(-c2ccncc2)n1
InChIInChI=1S/C14H17N5O/c1-10(2)17-14(20)19(3)12-6-9-16-13(18-12)11-4-7-15-8-5-11/h4-10H,1-3H3,(H,17,20)
InChIKeyVHPZFZJUWCOGHB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.09
Rot. Bonds3

About 1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea

1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea (PubChem CID 12764749) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea
PubChem CID12764749
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea
SMILESCC(C)NC(=O)N(C)c1ccnc(-c2ccncc2)n1
InChIInChI=1S/C14H17N5O/c1-10(2)17-14(20)19(3)12-6-9-16-13(18-12)11-4-7-15-8-5-11/h4-10H,1-3H3,(H,17,20)
InChIKeyVHPZFZJUWCOGHB-UHFFFAOYSA-N
XLogP2.09
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea?
The IUPAC name of 1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea (CID 12764749) is 1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea?
The canonical SMILES for 1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea is CC(C)NC(=O)N(C)c1ccnc(-c2ccncc2)n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea?
The InChIKey is VHPZFZJUWCOGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10(2)17-14(20)19(3)12-6-9-16-13(18-12)11-4-7-15-8-5-11/h4-10H,1-3H3,(H,17,20).
What are the key properties of 1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea?
1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea is sourced from PubChem (CID 12764749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).