N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide

C13H20N4O2 — CID 74247416

IUPACN-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCC1CNCCO1
InChIInChI=1S/C13H20N4O2/c1-2-3-12-11(8-15-9-17-12)13(18)16-7-10-6-14-4-5-19-10/h8-10,14H,2-7H2,1H3,(H,16,18)
InChIKeyDFDVMAOQVFGQMX-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.15
Rot. Bonds5

About N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide

N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide (PubChem CID 74247416) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide
PubChem CID74247416
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCC1CNCCO1
InChIInChI=1S/C13H20N4O2/c1-2-3-12-11(8-15-9-17-12)13(18)16-7-10-6-14-4-5-19-10/h8-10,14H,2-7H2,1H3,(H,16,18)
InChIKeyDFDVMAOQVFGQMX-UHFFFAOYSA-N
XLogP0.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide (CID 74247416) is N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NCC1CNCCO1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide?
The InChIKey is DFDVMAOQVFGQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-3-12-11(8-15-9-17-12)13(18)16-7-10-6-14-4-5-19-10/h8-10,14H,2-7H2,1H3,(H,16,18).
What are the key properties of N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide?
N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 74247416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).