5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide

C16H26ClN3O — CID 62015370

IUPAC5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-10(2)8-20(9-11(3)4)16(21)14-13(17)7-18-15(19-14)12(5)6/h7,10-12H,8-9H2,1-6H3
InChIKeyIFWKJWQBQFVDTH-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.01
Rot. Bonds6

About 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62015370) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62015370
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-10(2)8-20(9-11(3)4)16(21)14-13(17)7-18-15(19-14)12(5)6/h7,10-12H,8-9H2,1-6H3
InChIKeyIFWKJWQBQFVDTH-UHFFFAOYSA-N
XLogP4.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190217
N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 103101766
5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 112754436
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62014799
N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119581566
5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62016557
3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 60748160
methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate
CID 62016564
5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020747
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 62017148
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62015370) is 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)CN(CC(C)C)C(=O)c1nc(C(C)C)ncc1Cl.
What is the InChIKey of 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is IFWKJWQBQFVDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-10(2)8-20(9-11(3)4)16(21)14-13(17)7-18-15(19-14)12(5)6/h7,10-12H,8-9H2,1-6H3.
What are the key properties of 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62015370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).