4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one

C21H29N5O — CID 154651025

IUPAC4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2ccc(CCCN3CCC4(CC3)CC(N)C4)cc2)c(=O)n1
InChIInChI=1S/C21H29N5O/c22-17-14-21(15-17)8-12-25(13-9-21)10-1-2-16-3-5-18(6-4-16)26-11-7-19(23)24-20(26)27/h3-7,11,17H,1-2,8-10,12-15,22H2,(H2,23,24,27)
InChIKeyMMISFTODIWGNJN-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.95
Rot. Bonds5

About 4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one

4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one (PubChem CID 154651025) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one
PubChem CID154651025
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2ccc(CCCN3CCC4(CC3)CC(N)C4)cc2)c(=O)n1
InChIInChI=1S/C21H29N5O/c22-17-14-21(15-17)8-12-25(13-9-21)10-1-2-16-3-5-18(6-4-16)26-11-7-19(23)24-20(26)27/h3-7,11,17H,1-2,8-10,12-15,22H2,(H2,23,24,27)
InChIKeyMMISFTODIWGNJN-UHFFFAOYSA-N
XLogP1.95
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one (CID 154651025) is 4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one is Nc1ccn(-c2ccc(CCCN3CCC4(CC3)CC(N)C4)cc2)c(=O)n1.
What is the InChIKey of 4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one?
The InChIKey is MMISFTODIWGNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c22-17-14-21(15-17)8-12-25(13-9-21)10-1-2-16-3-5-18(6-4-16)26-11-7-19(23)24-20(26)27/h3-7,11,17H,1-2,8-10,12-15,22H2,(H2,23,24,27).
What are the key properties of 4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one?
4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one has a molecular weight of 367.50 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 154651025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).