2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol

C13H24N4O2 — CID 106198680

IUPAC2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C13H24N4O2/c1-8-10(14)16-12(13(2,3)4)17-11(8)15-9(6-18)7-19-5/h9,18H,6-7H2,1-5H3,(H3,14,15,16,17)
InChIKeyPMFICCAZLCYLBU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.08
Rot. Bonds5

About 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol

2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106198680) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
PubChem CID106198680
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C13H24N4O2/c1-8-10(14)16-12(13(2,3)4)17-11(8)15-9(6-18)7-19-5/h9,18H,6-7H2,1-5H3,(H3,14,15,16,17)
InChIKeyPMFICCAZLCYLBU-UHFFFAOYSA-N
XLogP1.08
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol (CID 106198680) is 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1nc(C(C)(C)C)nc(N)c1C.
What is the InChIKey of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is PMFICCAZLCYLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-8-10(14)16-12(13(2,3)4)17-11(8)15-9(6-18)7-19-5/h9,18H,6-7H2,1-5H3,(H3,14,15,16,17).
What are the key properties of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106198680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).