4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C16H26N6O — CID 72881484

IUPAC4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CCC2(CCC1=O)CN(c1nccc(N)n1)CCN2C
InChIInChI=1S/C16H26N6O/c1-3-21-9-7-16(6-4-14(21)23)12-22(11-10-20(16)2)15-18-8-5-13(17)19-15/h5,8H,3-4,6-7,9-12H2,1-2H3,(H2,17,18,19)
InChIKeyDXRULYRMQNGNRM-UHFFFAOYSA-N
MW318.43 g/mol
LogP0.58
Rot. Bonds2

About 4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72881484) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72881484
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CCC2(CCC1=O)CN(c1nccc(N)n1)CCN2C
InChIInChI=1S/C16H26N6O/c1-3-21-9-7-16(6-4-14(21)23)12-22(11-10-20(16)2)15-18-8-5-13(17)19-15/h5,8H,3-4,6-7,9-12H2,1-2H3,(H2,17,18,19)
InChIKeyDXRULYRMQNGNRM-UHFFFAOYSA-N
XLogP0.58
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72881484) is 4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCN1CCC2(CCC1=O)CN(c1nccc(N)n1)CCN2C.
What is the InChIKey of 4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is DXRULYRMQNGNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-3-21-9-7-16(6-4-14(21)23)12-22(11-10-20(16)2)15-18-8-5-13(17)19-15/h5,8H,3-4,6-7,9-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 318.43 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrimidin-2-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72881484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).