N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide

C24H32FN5O — CID 91633026

IUPACN-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
SMILESCc1nc(C2CC2)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1ccccc1F
InChIInChI=1S/C24H32FN5O/c1-16-19(15-18-7-5-6-8-20(18)25)22(27-21(26-16)17-9-10-17)29-11-13-30(14-12-29)23(31)28-24(2,3)4/h5-8,17H,9-15H2,1-4H3,(H,28,31)
InChIKeyUDYCDFNGDUTVPD-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.02
Rot. Bonds4

About N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide

N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 91633026) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID91633026
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC NameN-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
SMILESCc1nc(C2CC2)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1ccccc1F
InChIInChI=1S/C24H32FN5O/c1-16-19(15-18-7-5-6-8-20(18)25)22(27-21(26-16)17-9-10-17)29-11-13-30(14-12-29)23(31)28-24(2,3)4/h5-8,17H,9-15H2,1-4H3,(H,28,31)
InChIKeyUDYCDFNGDUTVPD-UHFFFAOYSA-N
XLogP4.02
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90488154
4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 83286373
N-tert-butyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 3881174
cyclopropyl-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 83286462
N-tert-butyl-4-[6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazine-1-carboxamide
CID 83286415
[4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone
CID 83286351
4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 83286372
N-(2,4-dimethylphenyl)-4-[5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide
CID 46131275
4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 83283147
[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 83286355
cyclobutyl-[4-[2-cyclopropyl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 83287672
(2S)-1-[4-[5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 93122033

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide (CID 91633026) is N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide is Cc1nc(C2CC2)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1ccccc1F.
What is the InChIKey of N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is UDYCDFNGDUTVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-16-19(15-18-7-5-6-8-20(18)25)22(27-21(26-16)17-9-10-17)29-11-13-30(14-12-29)23(31)28-24(2,3)4/h5-8,17H,9-15H2,1-4H3,(H,28,31).
What are the key properties of N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?
N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 91633026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).