N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide

C18H21FN4O — CID 51103580

IUPACN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESO=C(CCNc1ncccn1)NCC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C18H21FN4O/c19-15-5-3-14(4-6-15)18(8-1-9-18)13-23-16(24)7-12-22-17-20-10-2-11-21-17/h2-6,10-11H,1,7-9,12-13H2,(H,23,24)(H,20,21,22)
InChIKeyIKSPDIRAYNNTFI-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.66
Rot. Bonds7

About N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 51103580) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID51103580
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESO=C(CCNc1ncccn1)NCC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C18H21FN4O/c19-15-5-3-14(4-6-15)18(8-1-9-18)13-23-16(24)7-12-22-17-20-10-2-11-21-17/h2-6,10-11H,1,7-9,12-13H2,(H,23,24)(H,20,21,22)
InChIKeyIKSPDIRAYNNTFI-UHFFFAOYSA-N
XLogP2.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
1-[(1-phenylcyclopropyl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 56814220
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110480778
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119950889
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide (CID 51103580) is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide is O=C(CCNc1ncccn1)NCC1(c2ccc(F)cc2)CCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is IKSPDIRAYNNTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-5-3-14(4-6-15)18(8-1-9-18)13-23-16(24)7-12-22-17-20-10-2-11-21-17/h2-6,10-11H,1,7-9,12-13H2,(H,23,24)(H,20,21,22).
What are the key properties of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide?
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 328.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 51103580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).