N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide

C14H24N4O — CID 119653982

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncncc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H24N4O/c1-10(2)12-11(6-16-9-17-12)13(19)18(5)8-14(3,4)7-15/h6,9-10H,7-8,15H2,1-5H3
InChIKeyIVHPGXXSZPWWSU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.66
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 119653982) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID119653982
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncncc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H24N4O/c1-10(2)12-11(6-16-9-17-12)13(19)18(5)8-14(3,4)7-15/h6,9-10H,7-8,15H2,1-5H3
InChIKeyIVHPGXXSZPWWSU-UHFFFAOYSA-N
XLogP1.66
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide (CID 119653982) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncncc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is IVHPGXXSZPWWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)12-11(6-16-9-17-12)13(19)18(5)8-14(3,4)7-15/h6,9-10H,7-8,15H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 119653982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).