1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea

C15H26N6O — CID 166603397

IUPAC1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCN(c2nccc(N(C)C)n2)CC1
InChIInChI=1S/C15H26N6O/c1-18(2)13-6-9-16-14(17-13)21-10-7-12(8-11-21)20(5)15(22)19(3)4/h6,9,12H,7-8,10-11H2,1-5H3
InChIKeyDLGUPJOQDDWOHI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.12
Rot. Bonds3

About 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea

1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea (PubChem CID 166603397) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
PubChem CID166603397
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCN(c2nccc(N(C)C)n2)CC1
InChIInChI=1S/C15H26N6O/c1-18(2)13-6-9-16-14(17-13)21-10-7-12(8-11-21)20(5)15(22)19(3)4/h6,9,12H,7-8,10-11H2,1-5H3
InChIKeyDLGUPJOQDDWOHI-UHFFFAOYSA-N
XLogP1.12
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350937
[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357851
1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea
CID 166606087
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
(4,4-difluoropiperidin-1-yl)-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 163345847
1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603310
N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335629
1-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166605206
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 126899370
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993681
3,4-dihydro-1H-isoquinolin-2-yl-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 171994717
1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603345

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea (CID 166603397) is 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea is CN(C)C(=O)N(C)C1CCN(c2nccc(N(C)C)n2)CC1.
What is the InChIKey of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea?
The InChIKey is DLGUPJOQDDWOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-18(2)13-6-9-16-14(17-13)21-10-7-12(8-11-21)20(5)15(22)19(3)4/h6,9,12H,7-8,10-11H2,1-5H3.
What are the key properties of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea?
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea has a molecular weight of 306.41 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 166603397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).