N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine

C12H14ClN3O — CID 106691644

IUPACN-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1ccoc1Cl
InChIInChI=1S/C12H14ClN3O/c1-2-4-16-11(9-6-14-8-15-7-9)10-3-5-17-12(10)13/h3,5-8,11,16H,2,4H2,1H3
InChIKeyAPNKCRRPZANCEC-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.81
Rot. Bonds5

About N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 106691644) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID106691644
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1ccoc1Cl
InChIInChI=1S/C12H14ClN3O/c1-2-4-16-11(9-6-14-8-15-7-9)10-3-5-17-12(10)13/h3,5-8,11,16H,2,4H2,1H3
InChIKeyAPNKCRRPZANCEC-UHFFFAOYSA-N
XLogP2.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorofuran-3-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 106692879
N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62489847
N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 106692900
N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 114886567
N-[(2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63085577
N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211
N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62491898
N-[(2-chloro-5-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923966
N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 106692244
N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106693217
N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 114104199
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 106691644) is N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1cncnc1)c1ccoc1Cl.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is APNKCRRPZANCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-2-4-16-11(9-6-14-8-15-7-9)10-3-5-17-12(10)13/h3,5-8,11,16H,2,4H2,1H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 251.72 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 106691644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).