4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one

C21H29N5O — CID 154650425

IUPAC4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one
SMILESCC(Cc1ccc(-n2ccc(N)nc2=O)cc1)N(C)C1CC2(CC(N)C2)C1
InChIInChI=1S/C21H29N5O/c1-14(25(2)18-12-21(13-18)10-16(22)11-21)9-15-3-5-17(6-4-15)26-8-7-19(23)24-20(26)27/h3-8,14,16,18H,9-13,22H2,1-2H3,(H2,23,24,27)
InChIKeyNKYMFSDSXGJNFU-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.95
Rot. Bonds5

About 4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one

4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one (PubChem CID 154650425) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one
PubChem CID154650425
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one
SMILESCC(Cc1ccc(-n2ccc(N)nc2=O)cc1)N(C)C1CC2(CC(N)C2)C1
InChIInChI=1S/C21H29N5O/c1-14(25(2)18-12-21(13-18)10-16(22)11-21)9-15-3-5-17(6-4-15)26-8-7-19(23)24-20(26)27/h3-8,14,16,18H,9-13,22H2,1-2H3,(H2,23,24,27)
InChIKeyNKYMFSDSXGJNFU-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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Related Compounds

4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one
CID 168747843
4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
CID 154652181
1-[4-[2-[[(1S,3R)-3-aminocyclopentyl]-methylamino]propyl]phenyl]-4-(methylamino)pyrimidin-2-one
CID 154651621
4-amino-1-[4-[[[(3S,5R)-3,5-diaminocyclohexyl]-methylamino]methyl]phenyl]pyrimidin-2-one
CID 168747831
4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one
CID 154651025
4-amino-1-[4-[[[(1S,3S)-3-aminocyclopentyl]-ethylamino]methyl]phenyl]pyrimidin-2-one
CID 168747626
4-amino-1-[4-[[[(1S)-3-aminocyclopentyl]-ethylamino]methyl]phenyl]pyrimidin-2-one
CID 154651541
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-(2,2,2-trifluoroethyl)amino]propyl]phenyl]pyrimidin-2-one
CID 155006458
4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one
CID 167383386
4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one
CID 167383261
4-amino-1-[4-[[[(3R,5S)-3,5-diaminocyclohexyl]amino]methyl]phenyl]pyrimidin-2-one
CID 168747797
4-amino-1-[4-[[(1S,5R)-6-(1-aminoethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]pyrimidin-2-one
CID 155006255

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one (CID 154650425) is 4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one is CC(Cc1ccc(-n2ccc(N)nc2=O)cc1)N(C)C1CC2(CC(N)C2)C1.
What is the InChIKey of 4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one?
The InChIKey is NKYMFSDSXGJNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-14(25(2)18-12-21(13-18)10-16(22)11-21)9-15-3-5-17(6-4-15)26-8-7-19(23)24-20(26)27/h3-8,14,16,18H,9-13,22H2,1-2H3,(H2,23,24,27).
What are the key properties of 4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one?
4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]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-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 154650425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).