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

C13H22N4O — CID 80855486

IUPAC3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1ncnc(NCC2CC(O)C2)c1C
InChIInChI=1S/C13H22N4O/c1-3-4-14-12-9(2)13(17-8-16-12)15-7-10-5-11(18)6-10/h8,10-11,18H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyKSUXZAPANTVNQU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.79
Rot. Bonds6

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

3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80855486) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
PubChem CID80855486
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1ncnc(NCC2CC(O)C2)c1C
InChIInChI=1S/C13H22N4O/c1-3-4-14-12-9(2)13(17-8-16-12)15-7-10-5-11(18)6-10/h8,10-11,18H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyKSUXZAPANTVNQU-UHFFFAOYSA-N
XLogP1.79
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855861
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 80922260
3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006827
3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138049
4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80791601
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80819515
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856004
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
N-[(4-ethylcyclohexyl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80902835
1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80823831
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (CID 80855486) is 3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is CCCNc1ncnc(NCC2CC(O)C2)c1C.
What is the InChIKey of 3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is KSUXZAPANTVNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-4-14-12-9(2)13(17-8-16-12)15-7-10-5-11(18)6-10/h8,10-11,18H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80855486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).