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

C13H24N4O — CID 80848620

IUPAC1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ncnc(N)c1C(C)C
InChIInChI=1S/C13H24N4O/c1-6-17(7-13(4,5)18)12-10(9(2)3)11(14)15-8-16-12/h8-9,18H,6-7H2,1-5H3,(H2,14,15,16)
InChIKeyNHHBDYUQFYUUBP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.78
Rot. Bonds5

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

1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 80848620) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID80848620
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ncnc(N)c1C(C)C
InChIInChI=1S/C13H24N4O/c1-6-17(7-13(4,5)18)12-10(9(2)3)11(14)15-8-16-12/h8-9,18H,6-7H2,1-5H3,(H2,14,15,16)
InChIKeyNHHBDYUQFYUUBP-UHFFFAOYSA-N
XLogP1.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 106812063
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80816434
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495177
1-[ethyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923421
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848616
4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849502
4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847885
1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 78962197
4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80814653

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (CID 80848620) is 1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ncnc(N)c1C(C)C.
What is the InChIKey of 1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is NHHBDYUQFYUUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-17(7-13(4,5)18)12-10(9(2)3)11(14)15-8-16-12/h8-9,18H,6-7H2,1-5H3,(H2,14,15,16).
What are the key properties of 1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80848620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).