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

C11H20N4O — CID 104557069

IUPAC2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCC(C)c1c(N)ncnc1N(C)C(C)CO
InChIInChI=1S/C11H20N4O/c1-7(2)9-10(12)13-6-14-11(9)15(4)8(3)5-16/h6-8,16H,5H2,1-4H3,(H2,12,13,14)
InChIKeyFIKQGMPLFUGREV-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.00
Rot. Bonds4

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

2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol (PubChem CID 104557069) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
PubChem CID104557069
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCC(C)c1c(N)ncnc1N(C)C(C)CO
InChIInChI=1S/C11H20N4O/c1-7(2)9-10(12)13-6-14-11(9)15(4)8(3)5-16/h6-8,16H,5H2,1-4H3,(H2,12,13,14)
InChIKeyFIKQGMPLFUGREV-UHFFFAOYSA-N
XLogP1.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828643
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796579
4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80816434
1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848620
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495177
4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847885
4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849502
3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856418
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80753994
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80776680

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol (CID 104557069) is 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol is CC(C)c1c(N)ncnc1N(C)C(C)CO.
What is the InChIKey of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
The InChIKey is FIKQGMPLFUGREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)9-10(12)13-6-14-11(9)15(4)8(3)5-16/h6-8,16H,5H2,1-4H3,(H2,12,13,14).
What are the key properties of 2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 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)-methylamino]propan-1-ol is sourced from PubChem (CID 104557069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).