N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide

C13H22N4O — CID 67889944

IUPACN-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)NCCN(C)C)ncc1C(C)C
InChIInChI=1S/C13H22N4O/c1-9(2)11-8-15-12(16-10(11)3)13(18)14-6-7-17(4)5/h8-9H,6-7H2,1-5H3,(H,14,18)
InChIKeyWAUYROFASWHFSA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.20
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide

N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide (PubChem CID 67889944) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide
PubChem CID67889944
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)NCCN(C)C)ncc1C(C)C
InChIInChI=1S/C13H22N4O/c1-9(2)11-8-15-12(16-10(11)3)13(18)14-6-7-17(4)5/h8-9H,6-7H2,1-5H3,(H,14,18)
InChIKeyWAUYROFASWHFSA-UHFFFAOYSA-N
XLogP1.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide (CID 67889944) is N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide is Cc1nc(C(=O)NCCN(C)C)ncc1C(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide?
The InChIKey is WAUYROFASWHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)11-8-15-12(16-10(11)3)13(18)14-6-7-17(4)5/h8-9H,6-7H2,1-5H3,(H,14,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methyl-5-propan-2-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 67889944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).