4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol

C19H31N5O2 — CID 163354551

IUPAC4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
SMILESCc1nc(N2CCCC2)cc(N2CCN(CC3(O)CCOCC3)CC2)n1
InChIInChI=1S/C19H31N5O2/c1-16-20-17(23-6-2-3-7-23)14-18(21-16)24-10-8-22(9-11-24)15-19(25)4-12-26-13-5-19/h14,25H,2-13,15H2,1H3
InChIKeyHVRMHSYHHUXOPJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.05
Rot. Bonds4

About 4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol

4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol (PubChem CID 163354551) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
PubChem CID163354551
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
SMILESCc1nc(N2CCCC2)cc(N2CCN(CC3(O)CCOCC3)CC2)n1
InChIInChI=1S/C19H31N5O2/c1-16-20-17(23-6-2-3-7-23)14-18(21-16)24-10-8-22(9-11-24)15-19(25)4-12-26-13-5-19/h14,25H,2-13,15H2,1H3
InChIKeyHVRMHSYHHUXOPJ-UHFFFAOYSA-N
XLogP1.05
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol (CID 163354551) is 4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol is Cc1nc(N2CCCC2)cc(N2CCN(CC3(O)CCOCC3)CC2)n1.
What is the InChIKey of 4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol?
The InChIKey is HVRMHSYHHUXOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-16-20-17(23-6-2-3-7-23)14-18(21-16)24-10-8-22(9-11-24)15-19(25)4-12-26-13-5-19/h14,25H,2-13,15H2,1H3.
What are the key properties of 4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol?
4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol has a molecular weight of 361.49 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 163354551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).