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

C20H27N5O — CID 154651065

IUPAC4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2cccc(CCN3CCC4(CC3)CC(N)C4)c2)c(=O)n1
InChIInChI=1S/C20H27N5O/c21-16-13-20(14-16)6-10-24(11-7-20)8-4-15-2-1-3-17(12-15)25-9-5-18(22)23-19(25)26/h1-3,5,9,12,16H,4,6-8,10-11,13-14,21H2,(H2,22,23,26)
InChIKeyBIYWNJDNQZKZIN-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.56
Rot. Bonds4

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

4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one (PubChem CID 154651065) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one
PubChem CID154651065
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2cccc(CCN3CCC4(CC3)CC(N)C4)c2)c(=O)n1
InChIInChI=1S/C20H27N5O/c21-16-13-20(14-16)6-10-24(11-7-20)8-4-15-2-1-3-17(12-15)25-9-5-18(22)23-19(25)26/h1-3,5,9,12,16H,4,6-8,10-11,13-14,21H2,(H2,22,23,26)
InChIKeyBIYWNJDNQZKZIN-UHFFFAOYSA-N
XLogP1.56
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one
CID 167383666
4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one
CID 154651025
4-amino-1-[3-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]phenyl]pyrimidin-2-one
CID 154651577
N-[1-[4-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155006405
4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one
CID 154650380
4-(2-amino-2-methylpropanoyl)-N-[1-[3-[2-[4-(methylamino)piperidin-1-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154652285
N-[1-[3-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651752
4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one
CID 167383261
4-amino-1-[4-[2-[1-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-3-fluorophenyl]pyrimidin-2-one
CID 155006251
N-[1-[3-[2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]-4-[(2S)-2-amino-3-hydroxy-2-methylpropanoyl]piperazine-1-carboxamide
CID 154650875
4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
CID 154652181
N-[1-[4-[2-[(2-amino-7-azaspiro[3.5]nonan-7-yl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 167383440

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one (CID 154651065) is 4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one is Nc1ccn(-c2cccc(CCN3CCC4(CC3)CC(N)C4)c2)c(=O)n1.
What is the InChIKey of 4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one?
The InChIKey is BIYWNJDNQZKZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c21-16-13-20(14-16)6-10-24(11-7-20)8-4-15-2-1-3-17(12-15)25-9-5-18(22)23-19(25)26/h1-3,5,9,12,16H,4,6-8,10-11,13-14,21H2,(H2,22,23,26).
What are the key properties of 4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one?
4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one has a molecular weight of 353.47 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 154651065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).