N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide

C20H26N4O — CID 109263102

IUPACN-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)NC3CCCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-2-15-9-11-18(12-10-15)24-20-21-13-16(14-22-20)19(25)23-17-7-5-3-4-6-8-17/h9-14,17H,2-8H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyBVZWWODDKSSPLX-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.24
Rot. Bonds5

About N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide

N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109263102) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109263102
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)NC3CCCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-2-15-9-11-18(12-10-15)24-20-21-13-16(14-22-20)19(25)23-17-7-5-3-4-6-8-17/h9-14,17H,2-8H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyBVZWWODDKSSPLX-UHFFFAOYSA-N
XLogP4.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250453
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109247409
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256246
2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263653
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109249542
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide (CID 109263102) is N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide is CCc1ccc(Nc2ncc(C(=O)NC3CCCCCC3)cn2)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is BVZWWODDKSSPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-15-9-11-18(12-10-15)24-20-21-13-16(14-22-20)19(25)23-17-7-5-3-4-6-8-17/h9-14,17H,2-8H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide?
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).