1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea

C14H22N6O2 — CID 154770340

IUPAC1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea
SMILESCN1CC(CCNC(=O)Nc2cc(N(C)C)ncn2)CC1=O
InChIInChI=1S/C14H22N6O2/c1-19(2)12-7-11(16-9-17-12)18-14(22)15-5-4-10-6-13(21)20(3)8-10/h7,9-10H,4-6,8H2,1-3H3,(H2,15,16,17,18,22)
InChIKeyDTKMQOYGQGBXOW-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.53
Rot. Bonds5

About 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea

1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea (PubChem CID 154770340) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea
PubChem CID154770340
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea
SMILESCN1CC(CCNC(=O)Nc2cc(N(C)C)ncn2)CC1=O
InChIInChI=1S/C14H22N6O2/c1-19(2)12-7-11(16-9-17-12)18-14(22)15-5-4-10-6-13(21)20(3)8-10/h7,9-10H,4-6,8H2,1-3H3,(H2,15,16,17,18,22)
InChIKeyDTKMQOYGQGBXOW-UHFFFAOYSA-N
XLogP0.53
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea?
The IUPAC name of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea (CID 154770340) is 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea.
What is the SMILES notation for 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea?
The canonical SMILES for 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea is CN1CC(CCNC(=O)Nc2cc(N(C)C)ncn2)CC1=O.
What is the InChIKey of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea?
The InChIKey is DTKMQOYGQGBXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-19(2)12-7-11(16-9-17-12)18-14(22)15-5-4-10-6-13(21)20(3)8-10/h7,9-10H,4-6,8H2,1-3H3,(H2,15,16,17,18,22).
What are the key properties of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea?
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea has a molecular weight of 306.37 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea is sourced from PubChem (CID 154770340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).