2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C23H27N5O — CID 109259214

IUPAC2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1ncc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C23H27N5O/c1-15(2)19-6-5-7-20(16(3)4)21(19)28-23-26-13-18(14-27-23)22(29)25-12-17-8-10-24-11-9-17/h5-11,13-16H,12H2,1-4H3,(H,25,29)(H,26,27,28)
InChIKeyAXVWFRJDSYLUQE-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.79
Rot. Bonds7

About 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109259214) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109259214
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1ncc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C23H27N5O/c1-15(2)19-6-5-7-20(16(3)4)21(19)28-23-26-13-18(14-27-23)22(29)25-12-17-8-10-24-11-9-17/h5-11,13-16H,12H2,1-4H3,(H,25,29)(H,26,27,28)
InChIKeyAXVWFRJDSYLUQE-UHFFFAOYSA-N
XLogP4.79
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172019
N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256139
2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248539
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259148
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146
N-[(2-fluorophenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256940
2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259160
2-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256133
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259175
2-(2-methyl-6-propan-2-ylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247761
N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109259190

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 109259214) is 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is CC(C)c1cccc(C(C)C)c1Nc1ncc(C(=O)NCc2ccncc2)cn1.
What is the InChIKey of 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is AXVWFRJDSYLUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-15(2)19-6-5-7-20(16(3)4)21(19)28-23-26-13-18(14-27-23)22(29)25-12-17-8-10-24-11-9-17/h5-11,13-16H,12H2,1-4H3,(H,25,29)(H,26,27,28).
What are the key properties of 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).