5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine

C20H25N5O — CID 58073649

IUPAC5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCC(COC)CC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C20H25N5O/c1-3-18-17(6-4-15-5-7-19(21)22-12-15)20(24-14-23-18)25-10-8-16(9-11-25)13-26-2/h5,7,12,14,16H,3,8-11,13H2,1-2H3,(H2,21,22)
InChIKeySZCTZNUTYQSQRU-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.28
Rot. Bonds4

About 5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine

5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 58073649) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID58073649
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCC(COC)CC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C20H25N5O/c1-3-18-17(6-4-15-5-7-19(21)22-12-15)20(24-14-23-18)25-10-8-16(9-11-25)13-26-2/h5,7,12,14,16H,3,8-11,13H2,1-2H3,(H2,21,22)
InChIKeySZCTZNUTYQSQRU-UHFFFAOYSA-N
XLogP2.28
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 58073649) is 5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine is CCc1ncnc(N2CCC(COC)CC2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is SZCTZNUTYQSQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-18-17(6-4-15-5-7-19(21)22-12-15)20(24-14-23-18)25-10-8-16(9-11-25)13-26-2/h5,7,12,14,16H,3,8-11,13H2,1-2H3,(H2,21,22).
What are the key properties of 5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 351.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58073649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).