N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine

C16H26N6O — CID 170092341

IUPACN-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine
SMILESCc1cc(OCc2cn(C(C)(C)C)nn2)nc(NC(C)(C)C)n1
InChIInChI=1S/C16H26N6O/c1-11-8-13(18-14(17-11)19-15(2,3)4)23-10-12-9-22(21-20-12)16(5,6)7/h8-9H,10H2,1-7H3,(H,17,18,19)
InChIKeyMTCRZUBIVASVGO-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.92
Rot. Bonds4

About N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine

N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine (PubChem CID 170092341) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine
PubChem CID170092341
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC NameN-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine
SMILESCc1cc(OCc2cn(C(C)(C)C)nn2)nc(NC(C)(C)C)n1
InChIInChI=1S/C16H26N6O/c1-11-8-13(18-14(17-11)19-15(2,3)4)23-10-12-9-22(21-20-12)16(5,6)7/h8-9H,10H2,1-7H3,(H,17,18,19)
InChIKeyMTCRZUBIVASVGO-UHFFFAOYSA-N
XLogP2.92
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine?
The IUPAC name of N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine (CID 170092341) is N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine?
The canonical SMILES for N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine is Cc1cc(OCc2cn(C(C)(C)C)nn2)nc(NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine?
The InChIKey is MTCRZUBIVASVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-11-8-13(18-14(17-11)19-15(2,3)4)23-10-12-9-22(21-20-12)16(5,6)7/h8-9H,10H2,1-7H3,(H,17,18,19).
What are the key properties of N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine?
N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine has a molecular weight of 318.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 170092341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).