N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine

C16H20N4 — CID 62744074

IUPACN-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine
SMILESCc1nc(-c2cccnc2)nc(C)c1CCNC1CC1
InChIInChI=1S/C16H20N4/c1-11-15(7-9-18-14-5-6-14)12(2)20-16(19-11)13-4-3-8-17-10-13/h3-4,8,10,14,18H,5-7,9H2,1-2H3
InChIKeyDDHYAJGNGZGJPJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine

N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine (PubChem CID 62744074) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine
PubChem CID62744074
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine
SMILESCc1nc(-c2cccnc2)nc(C)c1CCNC1CC1
InChIInChI=1S/C16H20N4/c1-11-15(7-9-18-14-5-6-14)12(2)20-16(19-11)13-4-3-8-17-10-13/h3-4,8,10,14,18H,5-7,9H2,1-2H3
InChIKeyDDHYAJGNGZGJPJ-UHFFFAOYSA-N
XLogP2.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine (CID 62744074) is N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine is Cc1nc(-c2cccnc2)nc(C)c1CCNC1CC1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine?
The InChIKey is DDHYAJGNGZGJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-15(7-9-18-14-5-6-14)12(2)20-16(19-11)13-4-3-8-17-10-13/h3-4,8,10,14,18H,5-7,9H2,1-2H3.
What are the key properties of N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine?
N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 62744074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).