2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one

C8H11N5O2 — CID 71451068

IUPAC2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one
SMILESCOc1nc(N)nc2c1NC(=O)CCN2
InChIInChI=1S/C8H11N5O2/c1-15-7-5-6(12-8(9)13-7)10-3-2-4(14)11-5/h2-3H2,1H3,(H,11,14)(H3,9,10,12,13)
InChIKeyXGIRYCNTKTUALD-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.18
Rot. Bonds1

About 2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one

2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one (PubChem CID 71451068) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one.

Molecular Properties

Compound Name2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one
PubChem CID71451068
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one
SMILESCOc1nc(N)nc2c1NC(=O)CCN2
InChIInChI=1S/C8H11N5O2/c1-15-7-5-6(12-8(9)13-7)10-3-2-4(14)11-5/h2-3H2,1H3,(H,11,14)(H3,9,10,12,13)
InChIKeyXGIRYCNTKTUALD-UHFFFAOYSA-N
XLogP-0.18
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,6-dimethoxy-2-(1,4-oxazepan-4-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
CID 122191181
Heteromine G
CID 10561164
Heteromine F
CID 10610035
Heteromine H
CID 10774848
N-(imidazolidin-2-ylidene)-4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 67364637
2-amino-4-methoxy-8-methyl-7(8H)-pteridinone
CID 130016801
2,4-dimethoxy-6-methyl-7(8H)-pteridinone
CID 822294
N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide
CID 123254457
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide
CID 122148107
4-methoxy-2,6-dimethyl-7(8H)-pteridinone
CID 23857055
2-(dimethylamino)-4-methoxy-8H-pteridin-7-one
CID 14055944
4-N,4-N-diethyl-2,6-dimethoxypyrimidine-4,5-diamine
CID 20085296

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one?
The IUPAC name of 2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one (CID 71451068) is 2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one.
What is the SMILES notation for 2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one?
The canonical SMILES for 2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one is COc1nc(N)nc2c1NC(=O)CCN2.
What is the InChIKey of 2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one?
The InChIKey is XGIRYCNTKTUALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-15-7-5-6(12-8(9)13-7)10-3-2-4(14)11-5/h2-3H2,1H3,(H,11,14)(H3,9,10,12,13).
What are the key properties of 2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one?
2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one has a molecular weight of 209.21 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one is sourced from PubChem (CID 71451068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).