1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol

C16H30N4O — CID 107159522

IUPAC1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
SMILESCCNc1ncnc(NCC(O)CC(C)(C)C)c1C(C)C
InChIInChI=1S/C16H30N4O/c1-7-17-14-13(11(2)3)15(20-10-19-14)18-9-12(21)8-16(4,5)6/h10-12,21H,7-9H2,1-6H3,(H2,17,18,19,20)
InChIKeyXZWYVFVJUUFJPN-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.24
Rot. Bonds7

About 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol

1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol (PubChem CID 107159522) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
PubChem CID107159522
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
SMILESCCNc1ncnc(NCC(O)CC(C)(C)C)c1C(C)C
InChIInChI=1S/C16H30N4O/c1-7-17-14-13(11(2)3)15(20-10-19-14)18-9-12(21)8-16(4,5)6/h10-12,21H,7-9H2,1-6H3,(H2,17,18,19,20)
InChIKeyXZWYVFVJUUFJPN-UHFFFAOYSA-N
XLogP3.24
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159494
6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80791096
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159905
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159606
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol
CID 106288894
1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159733
methyl 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80801917
1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150871

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol (CID 107159522) is 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol is CCNc1ncnc(NCC(O)CC(C)(C)C)c1C(C)C.
What is the InChIKey of 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The InChIKey is XZWYVFVJUUFJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-17-14-13(11(2)3)15(20-10-19-14)18-9-12(21)8-16(4,5)6/h10-12,21H,7-9H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107159522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).