1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol

C14H26N4O2 — CID 106257910

IUPAC1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
SMILESCCNc1cc(NCC(C)(O)CCOC)nc(CC)n1
InChIInChI=1S/C14H26N4O2/c1-5-11-17-12(15-6-2)9-13(18-11)16-10-14(3,19)7-8-20-4/h9,19H,5-8,10H2,1-4H3,(H2,15,16,17,18)
InChIKeyOCZWRVTYCYRWHV-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.67
Rot. Bonds9

About 1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol

1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106257910) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106257910
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
SMILESCCNc1cc(NCC(C)(O)CCOC)nc(CC)n1
InChIInChI=1S/C14H26N4O2/c1-5-11-17-12(15-6-2)9-13(18-11)16-10-14(3,19)7-8-20-4/h9,19H,5-8,10H2,1-4H3,(H2,15,16,17,18)
InChIKeyOCZWRVTYCYRWHV-UHFFFAOYSA-N
XLogP1.67
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol (CID 106257910) is 1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol is CCNc1cc(NCC(C)(O)CCOC)nc(CC)n1.
What is the InChIKey of 1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is OCZWRVTYCYRWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-11-17-12(15-6-2)9-13(18-11)16-10-14(3,19)7-8-20-4/h9,19H,5-8,10H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106257910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).