2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol

C14H24N4O — CID 80984904

IUPAC2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC(O)C1CC1
InChIInChI=1S/C14H24N4O/c1-8-11(15)17-13(14(2,3)4)18-12(8)16-7-10(19)9-5-6-9/h9-10,19H,5-7H2,1-4H3,(H3,15,16,17,18)
InChIKeyDGACELNJUAKRQE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.85
Rot. Bonds4

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

2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol (PubChem CID 80984904) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
PubChem CID80984904
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC(O)C1CC1
InChIInChI=1S/C14H24N4O/c1-8-11(15)17-13(14(2,3)4)18-12(8)16-7-10(19)9-5-6-9/h9-10,19H,5-7H2,1-4H3,(H3,15,16,17,18)
InChIKeyDGACELNJUAKRQE-UHFFFAOYSA-N
XLogP1.85
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436324
5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137926
1-cyclopropyl-2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 81006562
methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80981003
2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80982416
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198680
2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80983916
2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258482

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol (CID 80984904) is 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol is Cc1c(N)nc(C(C)(C)C)nc1NCC(O)C1CC1.
What is the InChIKey of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol?
The InChIKey is DGACELNJUAKRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-8-11(15)17-13(14(2,3)4)18-12(8)16-7-10(19)9-5-6-9/h9-10,19H,5-7H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol?
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol has a molecular weight of 264.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol is sourced from PubChem (CID 80984904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).