6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

C16H28N6O2 — CID 109344547

IUPAC6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)NCCN2CCOCC2)ncn1
InChIInChI=1S/C16H28N6O2/c1-21(2)6-3-4-17-15-12-14(19-13-20-15)16(23)18-5-7-22-8-10-24-11-9-22/h12-13H,3-11H2,1-2H3,(H,18,23)(H,17,19,20)
InChIKeyFXEJUMYDXXZWPW-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.10
Rot. Bonds9

About 6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109344547) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109344547
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)NCCN2CCOCC2)ncn1
InChIInChI=1S/C16H28N6O2/c1-21(2)6-3-4-17-15-12-14(19-13-20-15)16(23)18-5-7-22-8-10-24-11-9-22/h12-13H,3-11H2,1-2H3,(H,18,23)(H,17,19,20)
InChIKeyFXEJUMYDXXZWPW-UHFFFAOYSA-N
XLogP-0.10
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154098
N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109344569
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115508
N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344446
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153978
N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344416
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115327
N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344509

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (CID 109344547) is 6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is CN(C)CCCNc1cc(C(=O)NCCN2CCOCC2)ncn1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is FXEJUMYDXXZWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-21(2)6-3-4-17-15-12-14(19-13-20-15)16(23)18-5-7-22-8-10-24-11-9-22/h12-13H,3-11H2,1-2H3,(H,18,23)(H,17,19,20).
What are the key properties of 6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of -0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).