(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C14H23N5O2 — CID 115967129

IUPAC(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1ncc(NN)c(C(=O)N2CCC(C(C)O)C2)n1
InChIInChI=1S/C14H23N5O2/c1-8(2)13-16-6-11(18-15)12(17-13)14(21)19-5-4-10(7-19)9(3)20/h6,8-10,18,20H,4-5,7,15H2,1-3H3
InChIKeyTUMDDLJBVLPLAE-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.73
Rot. Bonds4

About (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 115967129) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID115967129
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1ncc(NN)c(C(=O)N2CCC(C(C)O)C2)n1
InChIInChI=1S/C14H23N5O2/c1-8(2)13-16-6-11(18-15)12(17-13)14(21)19-5-4-10(7-19)9(3)20/h6,8-10,18,20H,4-5,7,15H2,1-3H3
InChIKeyTUMDDLJBVLPLAE-UHFFFAOYSA-N
XLogP0.73
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 115967129) is (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC(C)c1ncc(NN)c(C(=O)N2CCC(C(C)O)C2)n1.
What is the InChIKey of (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is TUMDDLJBVLPLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-8(2)13-16-6-11(18-15)12(17-13)14(21)19-5-4-10(7-19)9(3)20/h6,8-10,18,20H,4-5,7,15H2,1-3H3.
What are the key properties of (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115967129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).