1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol

C13H24N4O — CID 107159494

IUPAC1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
SMILESCCNc1cc(NCC(O)CC(C)(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-5-14-11-6-12(17-9-16-11)15-8-10(18)7-13(2,3)4/h6,9-10,18H,5,7-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyJAYVDCKBAWSZQR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.12
Rot. Bonds6

About 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol

1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol (PubChem CID 107159494) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
PubChem CID107159494
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
SMILESCCNc1cc(NCC(O)CC(C)(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-5-14-11-6-12(17-9-16-11)15-8-10(18)7-13(2,3)4/h6,9-10,18H,5,7-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyJAYVDCKBAWSZQR-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 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159476
1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154916
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159522
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178960
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 103736559
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169926
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159526
4,4-dimethyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107153110
1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154937
1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80834963

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol (CID 107159494) is 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol is CCNc1cc(NCC(O)CC(C)(C)C)ncn1.
What is the InChIKey of 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The InChIKey is JAYVDCKBAWSZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-14-11-6-12(17-9-16-11)15-8-10(18)7-13(2,3)4/h6,9-10,18H,5,7-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-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 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107159494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).