N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine

C19H25N3O — CID 167819340

IUPACN-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CC(C)(C)C2OCc2ccccc2)n1
InChIInChI=1S/C19H25N3O/c1-13-10-14(2)21-18(20-13)22-16-11-19(3,4)17(16)23-12-15-8-6-5-7-9-15/h5-10,16-17H,11-12H2,1-4H3,(H,20,21,22)
InChIKeyRMGILYOSQHJPKL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.89
Rot. Bonds5

About N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine

N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 167819340) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID167819340
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CC(C)(C)C2OCc2ccccc2)n1
InChIInChI=1S/C19H25N3O/c1-13-10-14(2)21-18(20-13)22-16-11-19(3,4)17(16)23-12-15-8-6-5-7-9-15/h5-10,16-17H,11-12H2,1-4H3,(H,20,21,22)
InChIKeyRMGILYOSQHJPKL-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine (CID 167819340) is N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NC2CC(C)(C)C2OCc2ccccc2)n1.
What is the InChIKey of N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is RMGILYOSQHJPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-10-14(2)21-18(20-13)22-16-11-19(3,4)17(16)23-12-15-8-6-5-7-9-15/h5-10,16-17H,11-12H2,1-4H3,(H,20,21,22).
What are the key properties of N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine?
N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 311.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-phenylmethoxycyclobutyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 167819340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).