N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine

C14H23N5O — CID 118617228

IUPACN-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NC2COC2)nc(N2CCNCC2)n1
InChIInChI=1S/C14H23N5O/c1-10(2)12-7-13(16-11-8-20-9-11)18-14(17-12)19-5-3-15-4-6-19/h7,10-11,15H,3-6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyPFCGCFQWEGDGHC-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.82
Rot. Bonds4

About N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine

N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 118617228) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine
PubChem CID118617228
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NC2COC2)nc(N2CCNCC2)n1
InChIInChI=1S/C14H23N5O/c1-10(2)12-7-13(16-11-8-20-9-11)18-14(17-12)19-5-3-15-4-6-19/h7,10-11,15H,3-6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyPFCGCFQWEGDGHC-UHFFFAOYSA-N
XLogP0.82
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine (CID 118617228) is N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NC2COC2)nc(N2CCNCC2)n1.
What is the InChIKey of N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is PFCGCFQWEGDGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(2)12-7-13(16-11-8-20-9-11)18-14(17-12)19-5-3-15-4-6-19/h7,10-11,15H,3-6,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine?
N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 118617228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).