2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine

C19H31N5O — CID 133402436

IUPAC2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine
SMILESCOCc1cc(NC(C)Cc2c(C)nn(C)c2C)nc(C(C)(C)C)n1
InChIInChI=1S/C19H31N5O/c1-12(9-16-13(2)23-24(7)14(16)3)20-17-10-15(11-25-8)21-18(22-17)19(4,5)6/h10,12H,9,11H2,1-8H3,(H,20,21,22)
InChIKeyLXLLOINQZSUGCT-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.31
Rot. Bonds6

About 2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine

2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine (PubChem CID 133402436) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine
PubChem CID133402436
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine
SMILESCOCc1cc(NC(C)Cc2c(C)nn(C)c2C)nc(C(C)(C)C)n1
InChIInChI=1S/C19H31N5O/c1-12(9-16-13(2)23-24(7)14(16)3)20-17-10-15(11-25-8)21-18(22-17)19(4,5)6/h10,12H,9,11H2,1-8H3,(H,20,21,22)
InChIKeyLXLLOINQZSUGCT-UHFFFAOYSA-N
XLogP3.31
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133477462
6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine
CID 99703943
6-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine
CID 91648840
2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133402332
2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133405511
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 75426536
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 133400878
8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine
CID 133394542
3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133402560
2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine
CID 84589502
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide
CID 133476224

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine (CID 133402436) is 2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine is COCc1cc(NC(C)Cc2c(C)nn(C)c2C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is LXLLOINQZSUGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-12(9-16-13(2)23-24(7)14(16)3)20-17-10-15(11-25-8)21-18(22-17)19(4,5)6/h10,12H,9,11H2,1-8H3,(H,20,21,22).
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 345.49 g/mol, XLogP of 3.31, 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-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 133402436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).