N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine

C21H29N3O — CID 74244839

IUPACN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCOCCc1ncc(CN(C)CC2(c3ccccc3)CC2(C)C)cn1
InChIInChI=1S/C21H29N3O/c1-20(2)15-21(20,18-8-6-5-7-9-18)16-24(3)14-17-12-22-19(23-13-17)10-11-25-4/h5-9,12-13H,10-11,14-16H2,1-4H3
InChIKeyKNSMSJCMYWIBSF-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.47
Rot. Bonds8

About N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine

N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 74244839) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID74244839
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCOCCc1ncc(CN(C)CC2(c3ccccc3)CC2(C)C)cn1
InChIInChI=1S/C21H29N3O/c1-20(2)15-21(20,18-8-6-5-7-9-18)16-24(3)14-17-12-22-19(23-13-17)10-11-25-4/h5-9,12-13H,10-11,14-16H2,1-4H3
InChIKeyKNSMSJCMYWIBSF-UHFFFAOYSA-N
XLogP3.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine (CID 74244839) is N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine is COCCc1ncc(CN(C)CC2(c3ccccc3)CC2(C)C)cn1.
What is the InChIKey of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is KNSMSJCMYWIBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-20(2)15-21(20,18-8-6-5-7-9-18)16-24(3)14-17-12-22-19(23-13-17)10-11-25-4/h5-9,12-13H,10-11,14-16H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine?
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 339.48 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 74244839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).