3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol

C12H22N4O — CID 64541513

IUPAC3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
SMILESCc1cc(NCC(N)C(C)O)nc(C(C)C)n1
InChIInChI=1S/C12H22N4O/c1-7(2)12-15-8(3)5-11(16-12)14-6-10(13)9(4)17/h5,7,9-10,17H,6,13H2,1-4H3,(H,14,15,16)
InChIKeySEYPOHRDKUVPDE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.03
Rot. Bonds5

About 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol

3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 64541513) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID64541513
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
SMILESCc1cc(NCC(N)C(C)O)nc(C(C)C)n1
InChIInChI=1S/C12H22N4O/c1-7(2)12-15-8(3)5-11(16-12)14-6-10(13)9(4)17/h5,7,9-10,17H,6,13H2,1-4H3,(H,14,15,16)
InChIKeySEYPOHRDKUVPDE-UHFFFAOYSA-N
XLogP1.03
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol with MolForge

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Related Compounds

1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
CID 63732652
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63767232
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol
CID 112634963
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
CID 133272671
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol
CID 106550190
2-N,2-N,2-trimethyl-1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
CID 54941206
6-methyl-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79362563

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol (CID 64541513) is 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol is Cc1cc(NCC(N)C(C)O)nc(C(C)C)n1.
What is the InChIKey of 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is SEYPOHRDKUVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(2)12-15-8(3)5-11(16-12)14-6-10(13)9(4)17/h5,7,9-10,17H,6,13H2,1-4H3,(H,14,15,16).
What are the key properties of 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 64541513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).