3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C13H22N4O — CID 80856418

IUPAC3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCC(C)c1c(N)ncnc1N(C)CC1CC(O)C1
InChIInChI=1S/C13H22N4O/c1-8(2)11-12(14)15-7-16-13(11)17(3)6-9-4-10(18)5-9/h7-10,18H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyBNFQQIOWOMXMKT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.39
Rot. Bonds4

About 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80856418) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID80856418
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCC(C)c1c(N)ncnc1N(C)CC1CC(O)C1
InChIInChI=1S/C13H22N4O/c1-8(2)11-12(14)15-7-16-13(11)17(3)6-9-4-10(18)5-9/h7-10,18H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyBNFQQIOWOMXMKT-UHFFFAOYSA-N
XLogP1.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796579
3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 102809546
4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847885
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 66320423
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80753994
3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 81133179
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975
4-N-(cyclohexylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799110
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796546

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 80856418) is 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is CC(C)c1c(N)ncnc1N(C)CC1CC(O)C1.
What is the InChIKey of 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is BNFQQIOWOMXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)11-12(14)15-7-16-13(11)17(3)6-9-4-10(18)5-9/h7-10,18H,4-6H2,1-3H3,(H2,14,15,16).
What are the key properties of 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 250.35 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 3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80856418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).