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

C10H17N5O — CID 75444259

IUPAC1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea
SMILESCCNC(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C10H17N5O/c1-4-11-10(16)13-7-8-5-6-12-9(14-8)15(2)3/h5-6H,4,7H2,1-3H3,(H2,11,13,16)
InChIKeyKSXRHFCCDUQQBS-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.36
Rot. Bonds4

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

1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea (PubChem CID 75444259) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea
PubChem CID75444259
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea
SMILESCCNC(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C10H17N5O/c1-4-11-10(16)13-7-8-5-6-12-9(14-8)15(2)3/h5-6H,4,7H2,1-3H3,(H2,11,13,16)
InChIKeyKSXRHFCCDUQQBS-UHFFFAOYSA-N
XLogP0.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.36
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-ethylurea?
The IUPAC name of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea (CID 75444259) is 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea.
What is the SMILES notation for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea?
The canonical SMILES for 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea is CCNC(=O)NCc1ccnc(N(C)C)n1.
What is the InChIKey of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea?
The InChIKey is KSXRHFCCDUQQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-4-11-10(16)13-7-8-5-6-12-9(14-8)15(2)3/h5-6H,4,7H2,1-3H3,(H2,11,13,16).
What are the key properties of 1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea?
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea has a molecular weight of 223.28 g/mol, XLogP of 0.36, 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-ethylurea is sourced from PubChem (CID 75444259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).