3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C15H26N4O — CID 106137926

IUPAC3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC1CCC(O)C1
InChIInChI=1S/C15H26N4O/c1-9-12(16)18-14(15(2,3)4)19-13(9)17-8-10-5-6-11(20)7-10/h10-11,20H,5-8H2,1-4H3,(H3,16,17,18,19)
InChIKeyDFLCFGVKOHPIBB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.24
Rot. Bonds3

About 3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106137926) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106137926
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC1CCC(O)C1
InChIInChI=1S/C15H26N4O/c1-9-12(16)18-14(15(2,3)4)19-13(9)17-8-10-5-6-11(20)7-10/h10-11,20H,5-8H2,1-4H3,(H3,16,17,18,19)
InChIKeyDFLCFGVKOHPIBB-UHFFFAOYSA-N
XLogP2.24
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208
3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138483
2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80982416
3-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138103
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80984904
2-tert-butyl-4-N-(1,4-dioxan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80986815
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114146012
2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80983916
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518
2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine
CID 80981629

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 106137926) is 3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is Cc1c(N)nc(C(C)(C)C)nc1NCC1CCC(O)C1.
What is the InChIKey of 3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is DFLCFGVKOHPIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-9-12(16)18-14(15(2,3)4)19-13(9)17-8-10-5-6-11(20)7-10/h10-11,20H,5-8H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106137926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).