1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea

C11H19N5O — CID 75444256

IUPAC1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C11H19N5O/c1-8(2)14-11(17)13-7-9-5-6-12-10(15-9)16(3)4/h5-6,8H,7H2,1-4H3,(H2,13,14,17)
InChIKeyOKCAMSYBRMVSHX-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.75
Rot. Bonds4

About 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea

1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea (PubChem CID 75444256) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea
PubChem CID75444256
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C11H19N5O/c1-8(2)14-11(17)13-7-9-5-6-12-10(15-9)16(3)4/h5-6,8H,7H2,1-4H3,(H2,13,14,17)
InChIKeyOKCAMSYBRMVSHX-UHFFFAOYSA-N
XLogP0.75
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea (CID 75444256) is 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCc1ccnc(N(C)C)n1.
What is the InChIKey of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea?
The InChIKey is OKCAMSYBRMVSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(2)14-11(17)13-7-9-5-6-12-10(15-9)16(3)4/h5-6,8H,7H2,1-4H3,(H2,13,14,17).
What are the key properties of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea?
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea has a molecular weight of 237.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 75444256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).