N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

C15H21N5O2 — CID 109301857

IUPACN-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C15H21N5O2/c1-20(2)9-4-7-16-14(21)13-6-8-17-15(19-13)18-11-12-5-3-10-22-12/h3,5-6,8,10H,4,7,9,11H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyBWNIDVQNODUSGK-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.36
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109301857) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109301857
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C15H21N5O2/c1-20(2)9-4-7-16-14(21)13-6-8-17-15(19-13)18-11-12-5-3-10-22-12/h3,5-6,8,10H,4,7,9,11H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyBWNIDVQNODUSGK-UHFFFAOYSA-N
XLogP1.36
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.36
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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Related Compounds

2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109207723
N-[3-(dimethylamino)propyl]-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109301859
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109253483
2-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301703
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109301857) is N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is CN(C)CCCNC(=O)c1ccnc(NCc2ccco2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is BWNIDVQNODUSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-20(2)9-4-7-16-14(21)13-6-8-17-15(19-13)18-11-12-5-3-10-22-12/h3,5-6,8,10H,4,7,9,11H2,1-2H3,(H,16,21)(H,17,18,19).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).