cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone

C18H28N4O — CID 50948910

IUPACcyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCCCc1cnc(C)nc1NCC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H28N4O/c1-3-4-16-12-19-13(2)21-17(16)20-11-14-7-9-22(10-8-14)18(23)15-5-6-15/h12,14-15H,3-11H2,1-2H3,(H,19,20,21)
InChIKeyYWEFSMNXFJYXET-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.80
Rot. Bonds6

About cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone

cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 50948910) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID50948910
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Namecyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCCCc1cnc(C)nc1NCC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H28N4O/c1-3-4-16-12-19-13(2)21-17(16)20-11-14-7-9-22(10-8-14)18(23)15-5-6-15/h12,14-15H,3-11H2,1-2H3,(H,19,20,21)
InChIKeyYWEFSMNXFJYXET-UHFFFAOYSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone (CID 50948910) is cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone is CCCc1cnc(C)nc1NCC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is YWEFSMNXFJYXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-4-16-12-19-13(2)21-17(16)20-11-14-7-9-22(10-8-14)18(23)15-5-6-15/h12,14-15H,3-11H2,1-2H3,(H,19,20,21).
What are the key properties of cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 316.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 50948910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).