2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine

C20H24N4O2 — CID 133402371

IUPAC2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2coc(-c3ccccc3)n2)nc(C(C)(C)C)n1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)19-23-15(12-25-4)10-17(24-19)21-11-16-13-26-18(22-16)14-8-6-5-7-9-14/h5-10,13H,11-12H2,1-4H3,(H,21,23,24)
InChIKeyHPPIFWPKLQTBSW-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.19
Rot. Bonds6

About 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine

2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 133402371) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID133402371
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2coc(-c3ccccc3)n2)nc(C(C)(C)C)n1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)19-23-15(12-25-4)10-17(24-19)21-11-16-13-26-18(22-16)14-8-6-5-7-9-14/h5-10,13H,11-12H2,1-4H3,(H,21,23,24)
InChIKeyHPPIFWPKLQTBSW-UHFFFAOYSA-N
XLogP4.19
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 133402820
2-tert-butyl-6-(methoxymethyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133401193
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133404924
6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 133464678
6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71996201
2-tert-butyl-N-[[4-(difluoromethyl)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133474597
2-tert-butyl-6-(methoxymethyl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrimidin-4-amine
CID 133401023
4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 133402394
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133401633
2-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-4-methoxyphenol
CID 133401878
N-[(3-bromo-4-methoxyphenyl)methyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine
CID 133401021

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine (CID 133402371) is 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine is COCc1cc(NCc2coc(-c3ccccc3)n2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is HPPIFWPKLQTBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)19-23-15(12-25-4)10-17(24-19)21-11-16-13-26-18(22-16)14-8-6-5-7-9-14/h5-10,13H,11-12H2,1-4H3,(H,21,23,24).
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133402371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).