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

C12H22N4O — CID 114169926

IUPAC1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(NCC)ncn1
InChIInChI=1S/C12H22N4O/c1-4-6-12(3,17)8-14-11-7-10(13-5-2)15-9-16-11/h7,9,17H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyRBKOVZOPMCVOMG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.87
Rot. Bonds7

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

1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol (PubChem CID 114169926) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
PubChem CID114169926
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(NCC)ncn1
InChIInChI=1S/C12H22N4O/c1-4-6-12(3,17)8-14-11-7-10(13-5-2)15-9-16-11/h7,9,17H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyRBKOVZOPMCVOMG-UHFFFAOYSA-N
XLogP1.87
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol (CID 114169926) is 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(NCC)ncn1.
What is the InChIKey of 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The InChIKey is RBKOVZOPMCVOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-6-12(3,17)8-14-11-7-10(13-5-2)15-9-16-11/h7,9,17H,4-6,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.87, 7 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]-2-methylpentan-2-ol is sourced from PubChem (CID 114169926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).