5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol

C15H27N5O — CID 80657467

IUPAC5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol
SMILESCCNc1cc(C)nc(CN2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C15H27N5O/c1-5-16-14-6-11(2)17-15(18-14)10-20-9-13(21)7-12(20)8-19(3)4/h6,12-13,21H,5,7-10H2,1-4H3,(H,16,17,18)
InChIKeyYKHDAHJIEMWMRB-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.71
Rot. Bonds6

About 5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 80657467) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol
PubChem CID80657467
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol
SMILESCCNc1cc(C)nc(CN2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C15H27N5O/c1-5-16-14-6-11(2)17-15(18-14)10-20-9-13(21)7-12(20)8-19(3)4/h6,12-13,21H,5,7-10H2,1-4H3,(H,16,17,18)
InChIKeyYKHDAHJIEMWMRB-UHFFFAOYSA-N
XLogP0.71
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol (CID 80657467) is 5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol is CCNc1cc(C)nc(CN2CC(O)CC2CN(C)C)n1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is YKHDAHJIEMWMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-5-16-14-6-11(2)17-15(18-14)10-20-9-13(21)7-12(20)8-19(3)4/h6,12-13,21H,5,7-10H2,1-4H3,(H,16,17,18).
What are the key properties of 5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 293.42 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 80657467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).