2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one

C11H16N4O — CID 147353886

IUPAC2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one
SMILESCC(C)C1C=Nc2c(nc(N)[nH]c2=O)CC1
InChIInChI=1S/C11H16N4O/c1-6(2)7-3-4-8-9(13-5-7)10(16)15-11(12)14-8/h5-7H,3-4H2,1-2H3,(H3,12,14,15,16)
InChIKeyDFXZXPNSTNNYFU-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.27
Rot. Bonds1

About 2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one

2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one (PubChem CID 147353886) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one.

Molecular Properties

Compound Name2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one
PubChem CID147353886
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one
SMILESCC(C)C1C=Nc2c(nc(N)[nH]c2=O)CC1
InChIInChI=1S/C11H16N4O/c1-6(2)7-3-4-8-9(13-5-7)10(16)15-11(12)14-8/h5-7H,3-4H2,1-2H3,(H3,12,14,15,16)
InChIKeyDFXZXPNSTNNYFU-UHFFFAOYSA-N
XLogP1.27
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-7-ethyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 139393553
2-Amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 139393567
2-Amino-7-propan-2-yl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 156393811
2-amino-8-methyl-7,8,9,10-tetrahydro-3H-pyrimido[5,4-b]azocin-4-one
CID 170263150
2-amino-7,8-dimethyl-7,8-dihydro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 172314447

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one?
The IUPAC name of 2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one (CID 147353886) is 2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one.
What is the SMILES notation for 2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one?
The canonical SMILES for 2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one is CC(C)C1C=Nc2c(nc(N)[nH]c2=O)CC1.
What is the InChIKey of 2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one?
The InChIKey is DFXZXPNSTNNYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-6(2)7-3-4-8-9(13-5-7)10(16)15-11(12)14-8/h5-7H,3-4H2,1-2H3,(H3,12,14,15,16).
What are the key properties of 2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one?
2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one has a molecular weight of 220.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-propan-2-yl-3,7,8,9-tetrahydropyrimido[5,4-b]azepin-4-one is sourced from PubChem (CID 147353886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).