3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

C16H28N4O — CID 80991702

IUPAC3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1nc(C(C)(C)C)nc(NC2CC(O)C2)c1C
InChIInChI=1S/C16H28N4O/c1-6-7-17-13-10(2)14(18-11-8-12(21)9-11)20-15(19-13)16(3,4)5/h11-12,21H,6-9H2,1-5H3,(H2,17,18,19,20)
InChIKeyKCSXGKOOLJLPLB-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.84
Rot. Bonds5

About 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 80991702) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID80991702
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1nc(C(C)(C)C)nc(NC2CC(O)C2)c1C
InChIInChI=1S/C16H28N4O/c1-6-7-17-13-10(2)14(18-11-8-12(21)9-11)20-15(19-13)16(3,4)5/h11-12,21H,6-9H2,1-5H3,(H2,17,18,19,20)
InChIKeyKCSXGKOOLJLPLB-UHFFFAOYSA-N
XLogP2.84
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol with MolForge

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Related Compounds

3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80958635
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine
CID 114542031
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309
4-N-cycloheptyl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80985784
2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80977294
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856004
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856635
2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80987881
3-[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772853
3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855486

Frequently Asked Questions

What is the IUPAC name of 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (CID 80991702) is 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is CCCNc1nc(C(C)(C)C)nc(NC2CC(O)C2)c1C.
What is the InChIKey of 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is KCSXGKOOLJLPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-7-17-13-10(2)14(18-11-8-12(21)9-11)20-15(19-13)16(3,4)5/h11-12,21H,6-9H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 80991702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).