1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea

C15H26N6O2 — CID 53185787

IUPAC1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C15H26N6O2/c1-20(2)13-9-14(18-11-17-13)21-7-4-5-12(10-21)19-15(22)16-6-8-23-3/h9,11-12H,4-8,10H2,1-3H3,(H2,16,19,22)
InChIKeyHFWDTNQAYPZCRD-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.46
Rot. Bonds6

About 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea

1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea (PubChem CID 53185787) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea
PubChem CID53185787
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C15H26N6O2/c1-20(2)13-9-14(18-11-17-13)21-7-4-5-12(10-21)19-15(22)16-6-8-23-3/h9,11-12H,4-8,10H2,1-3H3,(H2,16,19,22)
InChIKeyHFWDTNQAYPZCRD-UHFFFAOYSA-N
XLogP0.46
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea (CID 53185787) is 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea is COCCNC(=O)NC1CCCN(c2cc(N(C)C)ncn2)C1.
What is the InChIKey of 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea?
The InChIKey is HFWDTNQAYPZCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-20(2)13-9-14(18-11-17-13)21-7-4-5-12(10-21)19-15(22)16-6-8-23-3/h9,11-12H,4-8,10H2,1-3H3,(H2,16,19,22).
What are the key properties of 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea?
1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea has a molecular weight of 322.41 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 53185787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).