3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol

C13H24N4O — CID 114178348

IUPAC3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCCNc1cc(NC(CCO)C(C)(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-5-14-11-8-12(16-9-15-11)17-10(6-7-18)13(2,3)4/h8-10,18H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeySBZOMCDWIPROHL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.12
Rot. Bonds6

About 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol

3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 114178348) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
PubChem CID114178348
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCCNc1cc(NC(CCO)C(C)(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-5-14-11-8-12(16-9-15-11)17-10(6-7-18)13(2,3)4/h8-10,18H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeySBZOMCDWIPROHL-UHFFFAOYSA-N
XLogP2.12
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358372
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358242
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352656
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851
3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352639
3-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114177404
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
CID 106350408
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114178343
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159494
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358458
4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103858207

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol (CID 114178348) is 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol is CCNc1cc(NC(CCO)C(C)(C)C)ncn1.
What is the InChIKey of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is SBZOMCDWIPROHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-14-11-8-12(16-9-15-11)17-10(6-7-18)13(2,3)4/h8-10,18H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114178348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).