[4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol

C13H22N4O — CID 114215102

IUPAC[4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol
SMILESCCN(CC)C1CCN(c2ncncc2CO)C1
InChIInChI=1S/C13H22N4O/c1-3-16(4-2)12-5-6-17(8-12)13-11(9-18)7-14-10-15-13/h7,10,12,18H,3-6,8-9H2,1-2H3
InChIKeyLCKIFGTYVKWGRM-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds5

About [4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol

[4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol (PubChem CID 114215102) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol
PubChem CID114215102
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol
SMILESCCN(CC)C1CCN(c2ncncc2CO)C1
InChIInChI=1S/C13H22N4O/c1-3-16(4-2)12-5-6-17(8-12)13-11(9-18)7-14-10-15-13/h7,10,12,18H,3-6,8-9H2,1-2H3
InChIKeyLCKIFGTYVKWGRM-UHFFFAOYSA-N
XLogP0.89
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol?
The IUPAC name of [4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol (CID 114215102) is [4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol is CCN(CC)C1CCN(c2ncncc2CO)C1.
What is the InChIKey of [4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol?
The InChIKey is LCKIFGTYVKWGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-16(4-2)12-5-6-17(8-12)13-11(9-18)7-14-10-15-13/h7,10,12,18H,3-6,8-9H2,1-2H3.
What are the key properties of [4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol?
[4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 114215102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).