5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide

C14H24N4O2 — CID 82947676

IUPAC5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
SMILESCCCOCCCNC(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C14H24N4O2/c1-4-7-20-8-5-6-16-14(19)12-11(15)9-17-13(18-12)10(2)3/h9-10H,4-8,15H2,1-3H3,(H,16,19)
InChIKeyWSMWNMZBWBOXIK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.73
Rot. Bonds8

About 5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide

5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide (PubChem CID 82947676) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
PubChem CID82947676
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
SMILESCCCOCCCNC(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C14H24N4O2/c1-4-7-20-8-5-6-16-14(19)12-11(15)9-17-13(18-12)10(2)3/h9-10H,4-8,15H2,1-3H3,(H,16,19)
InChIKeyWSMWNMZBWBOXIK-UHFFFAOYSA-N
XLogP1.73
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82940841
5-amino-2-propan-2-yl-N-(2-sulfamoylethyl)pyrimidine-4-carboxamide
CID 62155667
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186023
5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64583560
5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161489
5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide
CID 106432982
5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65042334
2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide
CID 82939939
5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 63245152
5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide
CID 62186515

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide (CID 82947676) is 5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide is CCCOCCCNC(=O)c1nc(C(C)C)ncc1N.
What is the InChIKey of 5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide?
The InChIKey is WSMWNMZBWBOXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-7-20-8-5-6-16-14(19)12-11(15)9-17-13(18-12)10(2)3/h9-10H,4-8,15H2,1-3H3,(H,16,19).
What are the key properties of 5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide?
5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 82947676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).