1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

C12H22N4O — CID 80958659

IUPAC1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCC(C)c1nc(N)cc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C12H22N4O/c1-8(2)11-14-9(13)6-10(15-11)16(5)7-12(3,4)17/h6,8,17H,7H2,1-5H3,(H2,13,14,15)
InChIKeyMUIBVADXHMRZGR-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.39
Rot. Bonds4

About 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 80958659) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID80958659
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCC(C)c1nc(N)cc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C12H22N4O/c1-8(2)11-14-9(13)6-10(15-11)16(5)7-12(3,4)17/h6,8,17H,7H2,1-5H3,(H2,13,14,15)
InChIKeyMUIBVADXHMRZGR-UHFFFAOYSA-N
XLogP1.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,N-Triisobutyl-pyrimidine-2,4,6-triamine
CID 25128814
2-(2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-ylamino)ethanol
CID 54587789
2,4-Diisobutylamino-6-chloropyrimidine
CID 44569029
2-(4-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamino)ethanol
CID 54585778
2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
CID 165129774
2-Methyl-6-morpholinopyrimidin-4-amine
CID 32800029
6-Diethylamino-2,4-diaminopyrimidine
CID 54157511
(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50978922
1-[[6-[(2-Hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 75524466
N4,N4,2-Trimethyl-4,6-pyrimidinediamine
CID 24971655
N4,N4-diethyl-2-methylpyrimidine-4,6-diamine
CID 57108286
4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 80769805

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (CID 80958659) is 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is CC(C)c1nc(N)cc(N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is MUIBVADXHMRZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)11-14-9(13)6-10(15-11)16(5)7-12(3,4)17/h6,8,17H,7H2,1-5H3,(H2,13,14,15).
What are the key properties of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80958659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).