N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine

C14H15ClFN3 — CID 114886567

IUPACN-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H15ClFN3/c1-2-5-19-14(10-7-17-9-18-8-10)12-6-11(15)3-4-13(12)16/h3-4,6-9,14,19H,2,5H2,1H3
InChIKeyNFSCUCRCMWWUHE-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.36
Rot. Bonds5

About N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 114886567) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID114886567
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC NameN-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H15ClFN3/c1-2-5-19-14(10-7-17-9-18-8-10)12-6-11(15)3-4-13(12)16/h3-4,6-9,14,19H,2,5H2,1H3
InChIKeyNFSCUCRCMWWUHE-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63085577
N-[(2-chloro-5-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923966
N-[(3-chloro-4-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63087158
N-[(5-chloro-2-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 114886624
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881
N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62489847
N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106691644
N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
CID 103053234
N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211
N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302959
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 114886567) is N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1cncnc1)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is NFSCUCRCMWWUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-5-19-14(10-7-17-9-18-8-10)12-6-11(15)3-4-13(12)16/h3-4,6-9,14,19H,2,5H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 279.75 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 114886567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).