[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C18H29N5O2 — CID 133335943

IUPAC[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(N2CCN(CC3CCOC3)CC2)ncn1
InChIInChI=1S/C18H29N5O2/c24-12-16-2-1-4-23(16)18-10-17(19-14-20-18)22-7-5-21(6-8-22)11-15-3-9-25-13-15/h10,14-16,24H,1-9,11-13H2
InChIKeyVTBBBSUYFJGBAE-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.60
Rot. Bonds5

About [1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133335943) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is [1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133335943
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(N2CCN(CC3CCOC3)CC2)ncn1
InChIInChI=1S/C18H29N5O2/c24-12-16-2-1-4-23(16)18-10-17(19-14-20-18)22-7-5-21(6-8-22)11-15-3-9-25-13-15/h10,14-16,24H,1-9,11-13H2
InChIKeyVTBBBSUYFJGBAE-UHFFFAOYSA-N
XLogP0.60
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133335943) is [1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(N2CCN(CC3CCOC3)CC2)ncn1.
What is the InChIKey of [1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is VTBBBSUYFJGBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c24-12-16-2-1-4-23(16)18-10-17(19-14-20-18)22-7-5-21(6-8-22)11-15-3-9-25-13-15/h10,14-16,24H,1-9,11-13H2.
What are the key properties of [1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 347.46 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133335943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).