N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine

C13H22N4O — CID 114221377

IUPACN-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine
SMILESCNCc1cc(C)nc(OCCN(C)C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-11(9-14-2)16-13(15-10)18-7-6-17(3)12-4-5-12/h8,12,14H,4-7,9H2,1-3H3
InChIKeyVICGORPBKDTYDT-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.98
Rot. Bonds7

About N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine

N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine (PubChem CID 114221377) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine
PubChem CID114221377
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine
SMILESCNCc1cc(C)nc(OCCN(C)C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-11(9-14-2)16-13(15-10)18-7-6-17(3)12-4-5-12/h8,12,14H,4-7,9H2,1-3H3
InChIKeyVICGORPBKDTYDT-UHFFFAOYSA-N
XLogP0.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine (CID 114221377) is N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine is CNCc1cc(C)nc(OCCN(C)C2CC2)n1.
What is the InChIKey of N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine?
The InChIKey is VICGORPBKDTYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-8-11(9-14-2)16-13(15-10)18-7-6-17(3)12-4-5-12/h8,12,14H,4-7,9H2,1-3H3.
What are the key properties of N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine?
N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine has a molecular weight of 250.35 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine is sourced from PubChem (CID 114221377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).