N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine

C10H15N3O2 — CID 43552089

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine
SMILESCOc1ncnc(OC)c1CNC1CC1
InChIInChI=1S/C10H15N3O2/c1-14-9-8(5-11-7-3-4-7)10(15-2)13-6-12-9/h6-7,11H,3-5H2,1-2H3
InChIKeyAXLBMACKLOGMNW-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.75
Rot. Bonds5

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine (PubChem CID 43552089) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine
PubChem CID43552089
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine
SMILESCOc1ncnc(OC)c1CNC1CC1
InChIInChI=1S/C10H15N3O2/c1-14-9-8(5-11-7-3-4-7)10(15-2)13-6-12-9/h6-7,11H,3-5H2,1-2H3
InChIKeyAXLBMACKLOGMNW-UHFFFAOYSA-N
XLogP0.75
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine (CID 43552089) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine is COc1ncnc(OC)c1CNC1CC1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine?
The InChIKey is AXLBMACKLOGMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-14-9-8(5-11-7-3-4-7)10(15-2)13-6-12-9/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine has a molecular weight of 209.25 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 43552089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).