1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol

C12H20N4O — CID 80764678

IUPAC1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
SMILESCCNc1nc(C)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C12H20N4O/c1-3-13-12-14-9(2)8-11(15-12)16-6-4-10(17)5-7-16/h8,10,17H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyPNJSTMORKNFCRW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.18
Rot. Bonds3

About 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol

1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol (PubChem CID 80764678) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
PubChem CID80764678
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
SMILESCCNc1nc(C)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C12H20N4O/c1-3-13-12-14-9(2)8-11(15-12)16-6-4-10(17)5-7-16/h8,10,17H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyPNJSTMORKNFCRW-UHFFFAOYSA-N
XLogP1.18
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674413
1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
N-ethyl-4-(2-ethylmorpholin-4-yl)-6-methylpyrimidin-2-amine
CID 80787774
N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80756500
N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 50947737
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122351016
2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862622
[4-(4-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]hydrazine
CID 80895681
6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 155981016
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 56699104

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol (CID 80764678) is 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol is CCNc1nc(C)cc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol?
The InChIKey is PNJSTMORKNFCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-12-14-9(2)8-11(15-12)16-6-4-10(17)5-7-16/h8,10,17H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol?
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol has a molecular weight of 236.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 80764678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).