N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide

C18H24N8O — CID 123395496

IUPACN'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide
SMILES[H]/N=C/CC1=NCCCN1CC/C(N)=N/c1nc(N)nc2c(OC)cccc12
InChIInChI=1S/C18H24N8O/c1-27-13-5-2-4-12-16(13)24-18(21)25-17(12)23-14(20)7-11-26-10-3-9-22-15(26)6-8-19/h2,4-5,8,19H,3,6-7,9-11H2,1H3,(H4,20,21,23,24,25)/b19-8+
InChIKeyKCCAHGUQGSXWOH-UFWORHAWSA-N
MW368.45 g/mol
LogP1.74
Rot. Bonds7

About N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide

N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide (PubChem CID 123395496) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide
PubChem CID123395496
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC NameN'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide
SMILES[H]/N=C/CC1=NCCCN1CC/C(N)=N/c1nc(N)nc2c(OC)cccc12
InChIInChI=1S/C18H24N8O/c1-27-13-5-2-4-12-16(13)24-18(21)25-17(12)23-14(20)7-11-26-10-3-9-22-15(26)6-8-19/h2,4-5,8,19H,3,6-7,9-11H2,1H3,(H4,20,21,23,24,25)/b19-8+
InChIKeyKCCAHGUQGSXWOH-UFWORHAWSA-N
XLogP1.74
TPSA138.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide
CID 123295175
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CID 123483691
N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide
CID 169150948
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropane-1-carboximidamide
CID 169150796
3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide
CID 169151088
3-[6-(2-amino-1,1-difluoropropan-2-yl)-3-pyridinyl]-N'-(2-amino-8-methoxyquinazolin-4-yl)cyclobutane-1-carboximidamide
CID 169150784
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide
CID 82451922
N'-(2-amino-8-methoxyquinazolin-4-yl)methanimidamide;1-(6-cyclobutyl-3-pyridinyl)-2,2-difluoroethanamine
CID 169150735
(3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide
CID 174215466
8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane
CID 142468444

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide?
The IUPAC name of N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide (CID 123395496) is N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide.
What is the SMILES notation for N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide?
The canonical SMILES for N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide is [H]/N=C/CC1=NCCCN1CC/C(N)=N/c1nc(N)nc2c(OC)cccc12.
What is the InChIKey of N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide?
The InChIKey is KCCAHGUQGSXWOH-UFWORHAWSA-N. The full InChI is InChI=1S/C18H24N8O/c1-27-13-5-2-4-12-16(13)24-18(21)25-17(12)23-14(20)7-11-26-10-3-9-22-15(26)6-8-19/h2,4-5,8,19H,3,6-7,9-11H2,1H3,(H4,20,21,23,24,25)/b19-8+.
What are the key properties of N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide?
N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide has a molecular weight of 368.45 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide is sourced from PubChem (CID 123395496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).