N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C14H20N6O — CID 126451320

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCCn1cnnc1CCNc1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C14H20N6O/c1-2-20-10-18-19-14(20)3-5-15-13-7-12(16-9-17-13)11-4-6-21-8-11/h7,9-11H,2-6,8H2,1H3,(H,15,16,17)/t11-/m0/s1
InChIKeyRJJVEBXBZKMTPG-NSHDSACASA-N
MW288.36 g/mol
LogP1.25
Rot. Bonds6

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126451320) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126451320
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCCn1cnnc1CCNc1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C14H20N6O/c1-2-20-10-18-19-14(20)3-5-15-13-7-12(16-9-17-13)11-4-6-21-8-11/h7,9-11H,2-6,8H2,1H3,(H,15,16,17)/t11-/m0/s1
InChIKeyRJJVEBXBZKMTPG-NSHDSACASA-N
XLogP1.25
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126451320) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is CCn1cnnc1CCNc1cc([C@H]2CCOC2)ncn1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is RJJVEBXBZKMTPG-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-20-10-18-19-14(20)3-5-15-13-7-12(16-9-17-13)11-4-6-21-8-11/h7,9-11H,2-6,8H2,1H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 288.36 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126451320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).