N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine

C14H21N3O — CID 103987970

IUPACN-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(CC2CCOC2)n1
InChIInChI=1S/C14H21N3O/c1-10-6-13(8-15-12-2-3-12)17-14(16-10)7-11-4-5-18-9-11/h6,11-12,15H,2-5,7-9H2,1H3
InChIKeySYNQTYXZLSIKFJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.62
Rot. Bonds5

About N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine

N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 103987970) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID103987970
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(CC2CCOC2)n1
InChIInChI=1S/C14H21N3O/c1-10-6-13(8-15-12-2-3-12)17-14(16-10)7-11-4-5-18-9-11/h6,11-12,15H,2-5,7-9H2,1H3
InChIKeySYNQTYXZLSIKFJ-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 103987970) is N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)nc(CC2CCOC2)n1.
What is the InChIKey of N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is SYNQTYXZLSIKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-6-13(8-15-12-2-3-12)17-14(16-10)7-11-4-5-18-9-11/h6,11-12,15H,2-5,7-9H2,1H3.
What are the key properties of N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 247.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103987970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).