[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol

C16H28N4O — CID 80804152

IUPAC[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCCCc1c(NCC)ncnc1NC1(CO)CCCCC1
InChIInChI=1S/C16H28N4O/c1-3-8-13-14(17-4-2)18-12-19-15(13)20-16(11-21)9-6-5-7-10-16/h12,21H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyNVQNVRISJBKJOX-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.97
Rot. Bonds7

About [1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol

[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 80804152) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID80804152
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCCCc1c(NCC)ncnc1NC1(CO)CCCCC1
InChIInChI=1S/C16H28N4O/c1-3-8-13-14(17-4-2)18-12-19-15(13)20-16(11-21)9-6-5-7-10-16/h12,21H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyNVQNVRISJBKJOX-UHFFFAOYSA-N
XLogP2.97
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol (CID 80804152) is [1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol is CCCc1c(NCC)ncnc1NC1(CO)CCCCC1.
What is the InChIKey of [1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is NVQNVRISJBKJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-8-13-14(17-4-2)18-12-19-15(13)20-16(11-21)9-6-5-7-10-16/h12,21H,3-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of [1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol?
[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 292.43 g/mol, XLogP of 2.97, 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-propylpyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 80804152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).