2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol

C12H20N4O — CID 80829528

IUPAC2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol
SMILESCC(C)c1c(N)ncnc1NCC(O)C1CC1
InChIInChI=1S/C12H20N4O/c1-7(2)10-11(13)15-6-16-12(10)14-5-9(17)8-3-4-8/h6-9,17H,3-5H2,1-2H3,(H3,13,14,15,16)
InChIKeyASUKUZUMPBISCL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.37
Rot. Bonds5

About 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol

2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol (PubChem CID 80829528) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol
PubChem CID80829528
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol
SMILESCC(C)c1c(N)ncnc1NCC(O)C1CC1
InChIInChI=1S/C12H20N4O/c1-7(2)10-11(13)15-6-16-12(10)14-5-9(17)8-3-4-8/h6-9,17H,3-5H2,1-2H3,(H3,13,14,15,16)
InChIKeyASUKUZUMPBISCL-UHFFFAOYSA-N
XLogP1.37
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901
2-[(6-amino-5-nitropyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80829831
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80830309
4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80814271
4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767834
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80790850
2-[3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]propoxy]ethanol
CID 114172023
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 100612013
[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968693

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol (CID 80829528) is 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol is CC(C)c1c(N)ncnc1NCC(O)C1CC1.
What is the InChIKey of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol?
The InChIKey is ASUKUZUMPBISCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)10-11(13)15-6-16-12(10)14-5-9(17)8-3-4-8/h6-9,17H,3-5H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol?
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol has a molecular weight of 236.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol is sourced from PubChem (CID 80829528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).