N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine

C14H16ClN3 — CID 62489847

IUPACN-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1cncnc1
InChIInChI=1S/C14H16ClN3/c1-2-7-18-14(12-8-16-10-17-9-12)11-3-5-13(15)6-4-11/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyRDKFOCYXPNXFFS-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.22
Rot. Bonds5

About N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 62489847) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID62489847
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1cncnc1
InChIInChI=1S/C14H16ClN3/c1-2-7-18-14(12-8-16-10-17-9-12)11-3-5-13(15)6-4-11/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyRDKFOCYXPNXFFS-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63087158
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202
N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923416
N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 114886567
N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106691644
N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211
N-[(2-chloro-5-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923966
4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105076350
N-[(2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63085577
N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
CID 107356998
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 115826842
N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923434

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 62489847) is N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1)c1cncnc1.
What is the InChIKey of N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is RDKFOCYXPNXFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-2-7-18-14(12-8-16-10-17-9-12)11-3-5-13(15)6-4-11/h3-6,8-10,14,18H,2,7H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 261.76 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 62489847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).