N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine

C14H16N4 — CID 114245322

IUPACN-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESCc1cnc(-c2cccnc2)nc1CNC1CC1
InChIInChI=1S/C14H16N4/c1-10-7-17-14(11-3-2-6-15-8-11)18-13(10)9-16-12-4-5-12/h2-3,6-8,12,16H,4-5,9H2,1H3
InChIKeyHSORFYVNBLYEPD-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.10
Rot. Bonds4

About N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine

N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine (PubChem CID 114245322) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
PubChem CID114245322
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESCc1cnc(-c2cccnc2)nc1CNC1CC1
InChIInChI=1S/C14H16N4/c1-10-7-17-14(11-3-2-6-15-8-11)18-13(10)9-16-12-4-5-12/h2-3,6-8,12,16H,4-5,9H2,1H3
InChIKeyHSORFYVNBLYEPD-UHFFFAOYSA-N
XLogP2.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744074
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
4-ethyl-5-methyl-2-phenylpyrimidine
CID 150383613
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62139067
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43276842
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
CID 54911922
5-(1-chloroethyl)-4-methyl-2-pyridin-3-ylpyrimidine
CID 62771047
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
N-[[2-(3-methoxypropyl)-5-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 114245353

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine (CID 114245322) is N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine is Cc1cnc(-c2cccnc2)nc1CNC1CC1.
What is the InChIKey of N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine?
The InChIKey is HSORFYVNBLYEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-7-17-14(11-3-2-6-15-8-11)18-13(10)9-16-12-4-5-12/h2-3,6-8,12,16H,4-5,9H2,1H3.
What are the key properties of N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine?
N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine has a molecular weight of 240.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114245322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).