(3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol

C15H25N5O — CID 67953778

IUPAC(3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCC1C[C@@H](O)CN1c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C15H25N5O/c1-3-12-10-13(21)11-20(12)14-4-5-16-15(17-14)19-8-6-18(2)7-9-19/h4-5,12-13,21H,3,6-11H2,1-2H3/t12?,13-/m1/s1
InChIKeySLITWHQMKHPINR-ZGTCLIOFSA-N
MW291.40 g/mol
LogP0.58
Rot. Bonds3

About (3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol

(3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 67953778) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID67953778
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCC1C[C@@H](O)CN1c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C15H25N5O/c1-3-12-10-13(21)11-20(12)14-4-5-16-15(17-14)19-8-6-18(2)7-9-19/h4-5,12-13,21H,3,6-11H2,1-2H3/t12?,13-/m1/s1
InChIKeySLITWHQMKHPINR-ZGTCLIOFSA-N
XLogP0.58
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 67953778) is (3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol is CCC1C[C@@H](O)CN1c1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of (3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is SLITWHQMKHPINR-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-12-10-13(21)11-20(12)14-4-5-16-15(17-14)19-8-6-18(2)7-9-19/h4-5,12-13,21H,3,6-11H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of (3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
(3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 291.40 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-ethyl-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 67953778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).