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

C13H22N4O — CID 80949667

IUPAC3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCCCc1nc(N)cc(N(C)CC2CC(O)C2)n1
InChIInChI=1S/C13H22N4O/c1-3-4-12-15-11(14)7-13(16-12)17(2)8-9-5-10(18)6-9/h7,9-10,18H,3-6,8H2,1-2H3,(H2,14,15,16)
InChIKeyQDGQQRLLGKMRHQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.22
Rot. Bonds5

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

3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80949667) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID80949667
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCCCc1nc(N)cc(N(C)CC2CC(O)C2)n1
InChIInChI=1S/C13H22N4O/c1-3-4-12-15-11(14)7-13(16-12)17(2)8-9-5-10(18)6-9/h7,9-10,18H,3-6,8H2,1-2H3,(H2,14,15,16)
InChIKeyQDGQQRLLGKMRHQ-UHFFFAOYSA-N
XLogP1.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80945445
3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80855794
3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80943445
3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80958777
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640210
4-N-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954780
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 105420998
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557134
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80945206
2-propylpyrimidine-4,6-diamine
CID 67304918
2-[(6-amino-2-propylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80955354

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 80949667) is 3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is CCCc1nc(N)cc(N(C)CC2CC(O)C2)n1.
What is the InChIKey of 3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is QDGQQRLLGKMRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-4-12-15-11(14)7-13(16-12)17(2)8-9-5-10(18)6-9/h7,9-10,18H,3-6,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80949667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).