2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine

C16H25N5O — CID 133405511

IUPAC2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCc2cnn(C)c2C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H25N5O/c1-11-12(9-18-21(11)5)8-17-14-7-13(10-22-6)19-15(20-14)16(2,3)4/h7,9H,8,10H2,1-6H3,(H,17,19,20)
InChIKeyAPIVWYONKFWKGR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.57
Rot. Bonds5

About 2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133405511) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133405511
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCc2cnn(C)c2C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H25N5O/c1-11-12(9-18-21(11)5)8-17-14-7-13(10-22-6)19-15(20-14)16(2,3)4/h7,9H,8,10H2,1-6H3,(H,17,19,20)
InChIKeyAPIVWYONKFWKGR-UHFFFAOYSA-N
XLogP2.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 133405510
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133404924
4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 133402394
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133400520
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
2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 133402820
2-tert-butyl-6-(methoxymethyl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrimidin-4-amine
CID 133401023
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine
CID 84589502
2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133402332

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine (CID 133405511) is 2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NCc2cnn(C)c2C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is APIVWYONKFWKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-12(9-18-21(11)5)8-17-14-7-13(10-22-6)19-15(20-14)16(2,3)4/h7,9H,8,10H2,1-6H3,(H,17,19,20).
What are the key properties of 2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133405511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).