N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C18H24N4O2 — CID 109353448

IUPACN,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2ccccc2OC(C)C)ncn1
InChIInChI=1S/C18H24N4O2/c1-5-22(6-2)18(23)15-11-17(20-12-19-15)21-14-9-7-8-10-16(14)24-13(3)4/h7-13H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyAZAQZOVEILKMNA-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.49
Rot. Bonds7

About N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109353448) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109353448
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2ccccc2OC(C)C)ncn1
InChIInChI=1S/C18H24N4O2/c1-5-22(6-2)18(23)15-11-17(20-12-19-15)21-14-9-7-8-10-16(14)24-13(3)4/h7-13H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyAZAQZOVEILKMNA-UHFFFAOYSA-N
XLogP3.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-phenylpropyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353608
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(4-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358274
N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358189
2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109356624
6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355356
N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109353483
N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359157
N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109343992
N,N-diethyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109238819
6-(2,6-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353414
N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359156

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109353448) is N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(Nc2ccccc2OC(C)C)ncn1.
What is the InChIKey of N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is AZAQZOVEILKMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-22(6-2)18(23)15-11-17(20-12-19-15)21-14-9-7-8-10-16(14)24-13(3)4/h7-13H,5-6H2,1-4H3,(H,19,20,21).
What are the key properties of N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).