2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide

C14H24N4O — CID 175874381

IUPAC2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide
SMILESCCCCCCC(C)c1nc(N)ncc1C(=O)NC
InChIInChI=1S/C14H24N4O/c1-4-5-6-7-8-10(2)12-11(13(19)16-3)9-17-14(15)18-12/h9-10H,4-8H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyCZWGVLMGBDESGW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.49
Rot. Bonds7

About 2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide

2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide (PubChem CID 175874381) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide
PubChem CID175874381
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide
SMILESCCCCCCC(C)c1nc(N)ncc1C(=O)NC
InChIInChI=1S/C14H24N4O/c1-4-5-6-7-8-10(2)12-11(13(19)16-3)9-17-14(15)18-12/h9-10H,4-8H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyCZWGVLMGBDESGW-UHFFFAOYSA-N
XLogP2.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

5-heptan-2-ylpyrimidine-2,4-diamine
CID 175944646
4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070
1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one
CID 174832619
1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one;hydrate
CID 174832618
4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 14590541
5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide
CID 61478998
N,2-dimethyl-3-(nonan-2-ylamino)benzamide
CID 43734562
5-amino-4-octan-2-ylpyrazole-1-carboxamide
CID 167102492
3-nonan-2-yl-1,2-oxazol-4-amine
CID 175901419
2-amino-N-heptan-2-ylpyridine-3-carboxamide
CID 62073629
4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
CID 65359456
2-carbamoyl-5-heptan-2-ylpyrimidine-4-carboxylic acid
CID 175557199

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide (CID 175874381) is 2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide is CCCCCCC(C)c1nc(N)ncc1C(=O)NC.
What is the InChIKey of 2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide?
The InChIKey is CZWGVLMGBDESGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-5-6-7-8-10(2)12-11(13(19)16-3)9-17-14(15)18-12/h9-10H,4-8H2,1-3H3,(H,16,19)(H2,15,17,18).
What are the key properties of 2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide?
2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 175874381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).