1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea

C14H18N6O — CID 138025100

IUPAC1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea
SMILESCn1cnc(CNC(=O)Nc2ccnc(C3(C)CC3)n2)c1
InChIInChI=1S/C14H18N6O/c1-14(4-5-14)12-15-6-3-11(18-12)19-13(21)16-7-10-8-20(2)9-17-10/h3,6,8-9H,4-5,7H2,1-2H3,(H2,15,16,18,19,21)
InChIKeyAHYOCAYFSVSQFV-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.58
Rot. Bonds4

About 1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea

1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea (PubChem CID 138025100) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea
PubChem CID138025100
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea
SMILESCn1cnc(CNC(=O)Nc2ccnc(C3(C)CC3)n2)c1
InChIInChI=1S/C14H18N6O/c1-14(4-5-14)12-15-6-3-11(18-12)19-13(21)16-7-10-8-20(2)9-17-10/h3,6,8-9H,4-5,7H2,1-2H3,(H2,15,16,18,19,21)
InChIKeyAHYOCAYFSVSQFV-UHFFFAOYSA-N
XLogP1.58
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea?
The IUPAC name of 1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea (CID 138025100) is 1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea is Cn1cnc(CNC(=O)Nc2ccnc(C3(C)CC3)n2)c1.
What is the InChIKey of 1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea?
The InChIKey is AHYOCAYFSVSQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-14(4-5-14)12-15-6-3-11(18-12)19-13(21)16-7-10-8-20(2)9-17-10/h3,6,8-9H,4-5,7H2,1-2H3,(H2,15,16,18,19,21).
What are the key properties of 1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea?
1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea has a molecular weight of 286.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-3-[(1-methylimidazol-4-yl)methyl]urea is sourced from PubChem (CID 138025100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).