5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide

C14H24N4O — CID 62161489

IUPAC5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCCC(CC)NC(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C14H24N4O/c1-5-7-10(6-2)17-14(19)12-11(15)8-16-13(18-12)9(3)4/h8-10H,5-7,15H2,1-4H3,(H,17,19)
InChIKeyKGVOGYXRCUDLJF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.49
Rot. Bonds6

About 5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62161489) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62161489
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCCC(CC)NC(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C14H24N4O/c1-5-7-10(6-2)17-14(19)12-11(15)8-16-13(18-12)9(3)4/h8-10H,5-7,15H2,1-4H3,(H,17,19)
InChIKeyKGVOGYXRCUDLJF-UHFFFAOYSA-N
XLogP2.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186023
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64643270
5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65042334
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64583560
5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82947676
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487
5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62233583
5-amino-2-propan-2-yl-N-(2-sulfamoylethyl)pyrimidine-4-carboxamide
CID 62155667
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
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-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide (CID 62161489) is 5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide is CCCC(CC)NC(=O)c1nc(C(C)C)ncc1N.
What is the InChIKey of 5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is KGVOGYXRCUDLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-7-10(6-2)17-14(19)12-11(15)8-16-13(18-12)9(3)4/h8-10H,5-7,15H2,1-4H3,(H,17,19).
What are the key properties of 5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62161489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).