N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine

C17H27N3 — CID 79218703

IUPACN-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine
SMILESCCc1nc(C2CC2C)nc(CC)c1CCNC1CC1
InChIInChI=1S/C17H27N3/c1-4-15-13(8-9-18-12-6-7-12)16(5-2)20-17(19-15)14-10-11(14)3/h11-12,14,18H,4-10H2,1-3H3
InChIKeyOEJVYSIFIOBQTG-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.02
Rot. Bonds7

About N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine

N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine (PubChem CID 79218703) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine
PubChem CID79218703
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine
SMILESCCc1nc(C2CC2C)nc(CC)c1CCNC1CC1
InChIInChI=1S/C17H27N3/c1-4-15-13(8-9-18-12-6-7-12)16(5-2)20-17(19-15)14-10-11(14)3/h11-12,14,18H,4-10H2,1-3H3
InChIKeyOEJVYSIFIOBQTG-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine (CID 79218703) is N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine is CCc1nc(C2CC2C)nc(CC)c1CCNC1CC1.
What is the InChIKey of N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine?
The InChIKey is OEJVYSIFIOBQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-15-13(8-9-18-12-6-7-12)16(5-2)20-17(19-15)14-10-11(14)3/h11-12,14,18H,4-10H2,1-3H3.
What are the key properties of N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine?
N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 79218703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).