[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol

C13H22N4O — CID 112629574

IUPAC[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCCNc1nc(C)nc(N2CCC(CO)C2)c1C
InChIInChI=1S/C13H22N4O/c1-4-14-12-9(2)13(16-10(3)15-12)17-6-5-11(7-17)8-18/h11,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyVAERRVUYHMPAAS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.34
Rot. Bonds4

About [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol

[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 112629574) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID112629574
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCCNc1nc(C)nc(N2CCC(CO)C2)c1C
InChIInChI=1S/C13H22N4O/c1-4-14-12-9(2)13(16-10(3)15-12)17-6-5-11(7-17)8-18/h11,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyVAERRVUYHMPAAS-UHFFFAOYSA-N
XLogP1.34
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 112629574) is [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol is CCNc1nc(C)nc(N2CCC(CO)C2)c1C.
What is the InChIKey of [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is VAERRVUYHMPAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-12-9(2)13(16-10(3)15-12)17-6-5-11(7-17)8-18/h11,18H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).